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Showing metabocard for Apomorphine (HMDB0014852)

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enzymes (15) Show 15 proteins
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:46 UTC
HMDB IDHMDB0014852
Secondary Accession Numbers
  • HMDB14852
Metabolite Identification
Common NameApomorphine
DescriptionApomorphine, also known as uprima or apomorfin, belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof. However, the use of apomorphine in aversion therapy had escaped alcoholism, with its use to treat homosexuality leading to the death of a British Army Captain Billy Clegg HIll in 1962, helping to cement its reputation as a dangerous drug used primarily in archaic behavioural therapies. Apomorphine is a drug which is used for the acute, intermittent treatment of hypomobility, off episodes (end-of-dose wearing off and unpredictable on/off episodes) associated with advanced parkinson's disease. Apomorphine is a very strong basic compound (based on its pKa). Apomorphine is a potentially toxic compound.
Structure
Data?1582753227
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014852 (Apomorphine)

714
  Mrv0541 02231214572D          

 21 24  0  0  1  0            999 V2000
    3.4218    1.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -0.6228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4927    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2135    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8581   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784    0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -0.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2199    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126   -1.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126    0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5053    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949    0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949   -0.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4923   -1.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  1  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
Download

3D MOL for HMDB0014852 (Apomorphine)

HMDB0014852
     RDKit          3D
Apomorphine
 37 40  0  0  0  0  0  0  0  0999 V2000
   -2.7147   -2.4018   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411   -1.1912    0.5534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3727   -0.2122    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799    1.1139    0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    1.5834    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    2.9205    0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1618    3.3493    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    2.4424   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    1.1043   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346    0.6578    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -0.7698    0.1318 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0544   -1.6387    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -1.2115    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955   -2.1937   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493   -1.8387   -0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8408   -0.4797   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051   -0.1611   -1.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8994    0.5161   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891    1.7957   -0.7942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6427    0.1360   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7995   -3.2692    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -2.3081   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9641   -2.6190   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951   -0.6130    0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -0.1335   -0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8397    1.8369    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    1.0388    1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2239    3.6077    0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096    4.3951    0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    2.8041   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273   -0.9262   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0693   -1.7569    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1323   -2.6921    0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644   -3.2457    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989   -2.6031   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4088    0.7672   -1.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    2.1959   -1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 11  2  1  0
 20 13  1  0
 10  5  1  0
 20  9  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  6 28  1  0
  7 29  1  0
  8 30  1  0
 11 31  1  6
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 17 36  1  0
 19 37  1  0
M  END
Download

3D SDF for HMDB0014852 (Apomorphine)

714
  Mrv0541 02231214572D          

 21 24  0  0  1  0            999 V2000
    3.4218    1.3849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0105    0.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725   -1.0164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4927   -0.6228    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4927    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067   -1.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2135    0.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8581   -0.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8784    0.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8067    0.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207   -0.6228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1207    0.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1667   -1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2199    1.3959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7940    1.3904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126   -1.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4126    0.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5053    1.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949    0.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6949   -0.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4923   -1.2564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  1  0  0  0
  5  7  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 14 18  2  0  0  0  0
 15 18  1  0  0  0  0
 16 20  2  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014852

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23

> <INCHI_IDENTIFIER>
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1

> <INCHI_KEY>
VMWNQDUVQKEIOC-CYBMUJFWSA-N

> <FORMULA>
C17H17NO2

> <MOLECULAR_WEIGHT>
267.3224

> <EXACT_MASS>
267.125928793

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
29.695470918767093

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(9R)-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol

> <ALOGPS_LOGP>
2.51

> <JCHEM_LOGP>
2.8666352302639715

> <ALOGPS_LOGS>
-2.72

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.675522487307173

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.576138261328986

> <JCHEM_PKA_STRONGEST_BASIC>
13.248854491119767

> <JCHEM_POLAR_SURFACE_AREA>
43.7

> <JCHEM_REFRACTIVITY>
79.98810000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.10e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
apomorphine

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0014852 (Apomorphine)

HMDB0014852
     RDKit          3D
Apomorphine
 37 40  0  0  0  0  0  0  0  0999 V2000
   -2.7147   -2.4018   -0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3411   -1.1912    0.5534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3727   -0.2122    0.3136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0799    1.1139    0.8848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7321    1.5834    0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4174    2.9205    0.5169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1618    3.3493    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8655    2.4424   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5581    1.1043   -0.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7346    0.6578    0.2705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0422   -0.7698    0.1318 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0544   -1.6387    0.6220 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3531   -1.2115    0.0829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2955   -2.1937   -0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5493   -1.8387   -0.5186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8408   -0.4797   -0.7374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1051   -0.1611   -1.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8994    0.5161   -0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2891    1.7957   -0.7942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6427    0.1360   -0.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7995   -3.2692    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6897   -2.3081   -0.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9641   -2.6190   -0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951   -0.6130    0.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6556   -0.1335   -0.7602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8397    1.8369    0.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1340    1.0388    1.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2239    3.6077    0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1096    4.3951    0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8309    2.8041   -0.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0273   -0.9262   -1.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0693   -1.7569    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1323   -2.6921    0.2491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0644   -3.2457    0.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2989   -2.6031   -0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4088    0.7672   -1.3280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1225    2.1959   -1.0845 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 11  2  1  0
 20 13  1  0
 10  5  1  0
 20  9  1  0
  1 21  1  0
  1 22  1  0
  1 23  1  0
  3 24  1  0
  3 25  1  0
  4 26  1  0
  4 27  1  0
  6 28  1  0
  7 29  1  0
  8 30  1  0
 11 31  1  6
 12 32  1  0
 12 33  1  0
 14 34  1  0
 15 35  1  0
 17 36  1  0
 19 37  1  0
M  END
Download

PDB for HMDB0014852 (Apomorphine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 714                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       6.387   2.585   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       3.753   1.091   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0      11.522  -1.897   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      10.253  -1.163   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.253   0.316   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.973  -1.902   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      11.599   1.066   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.802  -1.181   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.840   0.284   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.973   1.055   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       7.692  -1.163   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       7.692   0.316   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      11.511  -3.376   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.610   2.606   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.949   2.595   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.370  -1.953   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.370   1.107   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.277   3.376   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.030   0.347   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.030  -1.193   0.000  0.00  0.00           C+0
HETATM   21  H   UNK     0      10.252  -2.345   0.000  0.00  0.00           H+0
CONECT    1   17                                                            
CONECT    2   19                                                            
CONECT    3    4    8   13                                                  
CONECT    4    3    5    6   21                                             
CONECT    5    4    7   10                                                  
CONECT    6    4   11                                                       
CONECT    7    5    9   14                                                  
CONECT    8    3    9                                                       
CONECT    9    7    8                                                       
CONECT   10    5   12   15                                                  
CONECT   11    6   12   16                                                  
CONECT   12   10   11   17                                                  
CONECT   13    3                                                            
CONECT   14    7   18                                                       
CONECT   15   10   18                                                       
CONECT   16   11   20                                                       
CONECT   17    1   12   19                                                  
CONECT   18   14   15                                                       
CONECT   19    2   17   20                                                  
CONECT   20   16   19                                                       
CONECT   21    4                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   48    0
END
Download

3D PDB for HMDB0014852 (Apomorphine)

COMPND    HMDB0014852
HETATM    1  C1  UNL     1      -2.715  -2.402  -0.157  1.00  0.00           C  
HETATM    2  N1  UNL     1      -2.341  -1.191   0.553  1.00  0.00           N  
HETATM    3  C2  UNL     1      -3.373  -0.212   0.314  1.00  0.00           C  
HETATM    4  C3  UNL     1      -3.080   1.114   0.885  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.732   1.583   0.549  1.00  0.00           C  
HETATM    6  C5  UNL     1      -1.417   2.920   0.517  1.00  0.00           C  
HETATM    7  C6  UNL     1      -0.162   3.349   0.222  1.00  0.00           C  
HETATM    8  C7  UNL     1       0.866   2.442  -0.059  1.00  0.00           C  
HETATM    9  C8  UNL     1       0.558   1.104  -0.026  1.00  0.00           C  
HETATM   10  C9  UNL     1      -0.735   0.658   0.271  1.00  0.00           C  
HETATM   11  C10 UNL     1      -1.042  -0.770   0.132  1.00  0.00           C  
HETATM   12  C11 UNL     1       0.054  -1.639   0.622  1.00  0.00           C  
HETATM   13  C12 UNL     1       1.353  -1.211   0.083  1.00  0.00           C  
HETATM   14  C13 UNL     1       2.295  -2.194  -0.107  1.00  0.00           C  
HETATM   15  C14 UNL     1       3.549  -1.839  -0.519  1.00  0.00           C  
HETATM   16  C15 UNL     1       3.841  -0.480  -0.737  1.00  0.00           C  
HETATM   17  O1  UNL     1       5.105  -0.161  -1.147  1.00  0.00           O  
HETATM   18  C16 UNL     1       2.899   0.516  -0.551  1.00  0.00           C  
HETATM   19  O2  UNL     1       3.289   1.796  -0.794  1.00  0.00           O  
HETATM   20  C17 UNL     1       1.643   0.136  -0.137  1.00  0.00           C  
HETATM   21  H1  UNL     1      -2.799  -3.269   0.531  1.00  0.00           H  
HETATM   22  H2  UNL     1      -3.690  -2.308  -0.676  1.00  0.00           H  
HETATM   23  H3  UNL     1      -1.964  -2.619  -0.947  1.00  0.00           H  
HETATM   24  H4  UNL     1      -4.295  -0.613   0.825  1.00  0.00           H  
HETATM   25  H5  UNL     1      -3.656  -0.134  -0.760  1.00  0.00           H  
HETATM   26  H6  UNL     1      -3.840   1.837   0.519  1.00  0.00           H  
HETATM   27  H7  UNL     1      -3.134   1.039   1.999  1.00  0.00           H  
HETATM   28  H8  UNL     1      -2.224   3.608   0.739  1.00  0.00           H  
HETATM   29  H9  UNL     1       0.110   4.395   0.189  1.00  0.00           H  
HETATM   30  H10 UNL     1       1.831   2.804  -0.277  1.00  0.00           H  
HETATM   31  H11 UNL     1      -1.027  -0.926  -1.013  1.00  0.00           H  
HETATM   32  H12 UNL     1       0.069  -1.757   1.729  1.00  0.00           H  
HETATM   33  H13 UNL     1      -0.132  -2.692   0.249  1.00  0.00           H  
HETATM   34  H14 UNL     1       2.064  -3.246   0.064  1.00  0.00           H  
HETATM   35  H15 UNL     1       4.299  -2.603  -0.671  1.00  0.00           H  
HETATM   36  H16 UNL     1       5.409   0.767  -1.328  1.00  0.00           H  
HETATM   37  H17 UNL     1       4.123   2.196  -1.085  1.00  0.00           H  
CONECT    1    2   21   22   23
CONECT    2    3   11
CONECT    3    4   24   25
CONECT    4    5   26   27
CONECT    5    6    6   10
CONECT    6    7   28
CONECT    7    8    8   29
CONECT    8    9   30
CONECT    9   10   10   20
CONECT   10   11
CONECT   11   12   31
CONECT   12   13   32   33
CONECT   13   14   14   20
CONECT   14   15   34
CONECT   15   16   16   35
CONECT   16   17   18
CONECT   17   36
CONECT   18   19   20   20
CONECT   19   37
END
Download

SMILES for HMDB0014852 (Apomorphine)

[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23
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INCHI for HMDB0014852 (Apomorphine)

InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
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View in JSmolView Stereo Labels
Synonyms
ValueSource
(-)-10,11-DihydroxyaporphineChEBI
(6AR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diolChEBI
(R)-5,6,6a,7-Tetrahydro-6-methyl-4H-dibenzo[de,g]quinoline-10,11-diolChEBI
ApomorphinChEBI
R-(-)-ApomorphineChEBI
UprimaKegg
ApomorfinHMDB
Apomorphine hydrochloride hemihydrateHMDB
Apomorphinium chloride hemihydrateHMDB
ApormorphineHMDB
L-ApomorphineHMDB
VR-040HMDB
VR-400HMDB
VR004HMDB
Anhydrous apomorphine hydrochlorideHMDB
Apomorphin-teclapharmHMDB
Britannia brand OF apomorphine hydrochlorideHMDB
Hemihydrate apomorphine hydrochlorideHMDB
Apomorphine hydrochloride, hemihydrateHMDB
BritajectHMDB
Chloride, apomorphineHMDB
Hydrochloride, apomorphineHMDB
Aguettant brand OF apomorphine hydrochlorideHMDB
ApokinonHMDB
Apomorphine hydrochloride, anhydrousHMDB
Hydrochloride, anhydrous apomorphineHMDB
Teclapharm brand OF apomorphine hydrochlorideHMDB
Anhydrous, apomorphine hydrochlorideHMDB
Apomorphin teclapharmHMDB
ApomorphinTeclapharmHMDB
Apomorphine chlorideHMDB
Apomorphine hydrochlorideHMDB
Apomorphine hydrochloride anhydrousHMDB
Hydrochloride anhydrous, apomorphineHMDB
Hydrochloride, hemihydrate apomorphineHMDB
Chemical FormulaC17H17NO2
Average Molecular Weight267.3224
Monoisotopic Molecular Weight267.125928793
IUPAC Name(9R)-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4-diol
Traditional Nameapomorphine
CAS Registry Number41372-20-7
SMILES
[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C23
InChI Identifier
InChI=1S/C17H17NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,13,19-20H,7-9H2,1H3/t13-/m1/s1
InChI KeyVMWNQDUVQKEIOC-CYBMUJFWSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as aporphines. These are quinoline alkaloids containing the dibenzo[de,g]quinoline ring system or a dehydrogenated derivative thereof.
KingdomOrganic compounds
Super ClassAlkaloids and derivatives
ClassAporphines
Sub ClassNot Available
Direct ParentAporphines
Alternative Parents
Substituents
  • Aporphine
  • Benzoquinoline
  • Phenanthrene
  • 2-naphthol
  • 1-naphthol
  • Naphthalene
  • Quinoline
  • Tetrahydroisoquinoline
  • 1-hydroxy-2-unsubstituted benzenoid
  • 1-hydroxy-4-unsubstituted benzenoid
  • Aralkylamine
  • Benzenoid
  • Tertiary aliphatic amine
  • Tertiary amine
  • Organoheterocyclic compound
  • Azacycle
  • Organic nitrogen compound
  • Organopnictogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic oxygen compound
  • Amine
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological location
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility0.51 g/LNot Available
LogP3.1Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available161.746http://allccs.zhulab.cn/database/detail?ID=AllCCS00001356
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.51 g/LALOGPS
logP2.51ALOGPS
logP2.87ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)6.58ChemAxon
pKa (Strongest Basic)13.25ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area43.7 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity79.99 m³·mol⁻¹ChemAxon
Polarizability29.7 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+161.99431661259
DarkChem[M-H]-161.68831661259
DeepCCS[M-2H]-196.52630932474
DeepCCS[M+Na]+171.7230932474
AllCCS[M+H]+163.032859911
AllCCS[M+H-H2O]+159.332859911
AllCCS[M+NH4]+166.532859911
AllCCS[M+Na]+167.532859911
AllCCS[M-H]-169.632859911
AllCCS[M+Na-2H]-168.932859911
AllCCS[M+HCOO]-168.332859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
Apomorphine[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C233650.3Standard polar33892256
Apomorphine[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C232537.5Standard non polar33892256
Apomorphine[H][C@]12CC3=C(C(O)=C(O)C=C3)C3=CC=CC(CCN1C)=C232692.1Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
Apomorphine,1TMS,isomer #1CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O)C(O[Si](C)(C)C)=C132529.3Semi standard non polar33892256
Apomorphine,1TMS,isomer #2CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O[Si](C)(C)C)C(O)=C132548.2Semi standard non polar33892256
Apomorphine,2TMS,isomer #1CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O[Si](C)(C)C)C(O[Si](C)(C)C)=C132492.3Semi standard non polar33892256
Apomorphine,1TBDMS,isomer #1CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O)C(O[Si](C)(C)C(C)(C)C)=C132757.5Semi standard non polar33892256
Apomorphine,1TBDMS,isomer #2CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O)=C132812.4Semi standard non polar33892256
Apomorphine,2TBDMS,isomer #1CN1CCC2=CC=CC3=C2[C@H]1CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=C132916.0Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - Apomorphine GC-MS (Non-derivatized) - 70eV, Positivesplash10-0gb9-0190000000-4a508d96ec3f544ad0a52017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Apomorphine GC-MS (2 TMS) - 70eV, Positivesplash10-01vt-1119000000-110790047aaa5266ec7d2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - Apomorphine GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-QTOF , positive-QTOFsplash10-014r-0090000000-29608efdadd8efd375a62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-QTOF , positive-QTOFsplash10-000i-0090000000-052772c02bbf103a3ef52017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-QTOF , positive-QTOFsplash10-00kr-0290000000-1e831a8078d43cfbdb512017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-ITFT , positive-QTOFsplash10-000i-0090000000-49baaafc781fbd1a40ea2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-ITFT , positive-QTOFsplash10-000i-0090000000-b2abd157ce4880c73d0b2017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-ITFT , positive-QTOFsplash10-000i-0090000000-b747e9bb748f801c3f502017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine LC-ESI-ITFT , positive-QTOFsplash10-000i-0090000000-1a55345a571167f3fca62017-09-14HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 70V, Positive-QTOFsplash10-000i-0090000000-ed5921a3fdc051a624bb2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 55V, Positive-QTOFsplash10-000i-0090000000-50fac0317064f1a8e9982021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 35V, Positive-QTOFsplash10-000i-0090000000-d6d6335388339cbc130c2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 45V, Positive-QTOFsplash10-000i-0090000000-d32f4b1b32d737f2a5372021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 20V, Positive-QTOFsplash10-00kr-0190000000-17116473412ddf117f0e2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 10V, Positive-QTOFsplash10-014i-0090000000-eacc7753be54416bffbc2021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 30V, Positive-QTOFsplash10-0006-0940000000-2986f1c61e42342e16072021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 40V, Positive-QTOFsplash10-0006-0900000000-ea1c772d74d365c179972021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 75V, Positive-QTOFsplash10-0006-0900000000-2ba14c246f29623c1b822021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 75V, Positive-QTOFsplash10-0006-0910000000-2ba14c246f29623c1b822021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 60V, Positive-QTOFsplash10-0006-0930000000-bdce5d0ee1156f3d67112021-09-20HMDB team, MONAView Spectrum
Experimental LC-MS/MSLC-MS/MS Spectrum - Apomorphine 30V, Positive-QTOFsplash10-00kr-0090000000-01bd77f545e298f9d50e2021-09-20HMDB team, MONAView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Apomorphine 10V, Positive-QTOFsplash10-014i-0090000000-0329e43d2073db5426bb2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Apomorphine 20V, Positive-QTOFsplash10-014r-0190000000-4dc4f5ea615d9b0a78e22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Apomorphine 40V, Positive-QTOFsplash10-05xu-1950000000-298a2d8a85a2417326772016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Apomorphine 10V, Negative-QTOFsplash10-014i-0090000000-8dcf24a32f1f7baba7c22016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Apomorphine 20V, Negative-QTOFsplash10-014i-0090000000-734acff31070eb2a5a842016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - Apomorphine 40V, Negative-QTOFsplash10-0udl-2190000000-5a6e0c712dad2d12eaa92016-08-03Wishart LabView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen Locations
  • Blood
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
BloodExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00714 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00714 details
Abnormal Concentrations
Not Available
Predicted Concentrations
BiospecimenValueOriginal ageOriginal sexOriginal conditionComments
Blood0.000 uMAdult (>18 years old)BothNormalPredicted based on drug qualities
Blood0.000 umol/mmol creatinineAdult (>18 years old)BothNormalPredicted based on drug qualities
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00714
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID5783
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkApomorphine
METLIN IDNot Available
PubChem Compound6005
PDB IDNot Available
ChEBI ID48538
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. Corsini GU, Del Zompo M, Gessa GL, Mangoni A: Therapeutic efficacy of apomorphine combined with an extracerebral inhibitor of dopamine receptors in Parkinson's disease. Lancet. 1979 May 5;1(8123):954-6. [PubMed:87620 ]
  2. Cotzias GC, Papavasiliou PS, Fehling C, Kaufman B, Mena I: Similarities between neurologic effects of L-dopa and of apomorphine. N Engl J Med. 1970 Jan 1;282(1):31-3. [PubMed:4901383 ]
  3. Chaudhuri KR, Clough C: Subcutaneous apomorphine in Parkinson's disease. BMJ. 1998 Feb 28;316(7132):641. [PubMed:9522772 ]
  4. SCHWAB RS, AMADOR LV, LETTVIN JY: Apomorphine in Parkinson's disease. Trans Am Neurol Assoc. 1951;56:251-3. [PubMed:14913646 ]
  5. Matsumoto K, Yoshida M, Andersson KE, Hedlund P: Effects in vitro and in vivo by apomorphine in the rat corpus cavernosum. Br J Pharmacol. 2005 Sep;146(2):259-67. [PubMed:16025145 ]

Only showing the first 10 proteins. There are 15 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Alpha-2A adrenergic receptor
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Alpha-2 adrenergic receptors mediate the catecholamine- induced inhibition of adenylate cyclase through the action of G proteins. The rank order of potency for agonists of this receptor is oxymetazoline > clonidine > epinephrine > norepinephrine > phenylephrine > dopamine > p-synephrine > p-tyramine > serotonin = p-octopamine. For antagonists, the rank order is yohimbine > phentolamine = mianserine > chlorpromazine = spiperone = prazosin > propanolol > alprenolol = pindolol
Gene Name:
ADRA2A
Uniprot ID:
P08913
Molecular weight:
48956.3
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
2. Alpha-2B adrenergic receptor
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
Alpha-2 adrenergic receptors mediate the catecholamine- induced inhibition of adenylate cyclase through the action of G proteins. The rank order of potency for agonists of this receptor is clonidine > norepinephrine > epinephrine = oxymetazoline > dopamine > p-tyramine = phenylephrine > serotonin > p-synephrine / p-octopamine. For antagonists, the rank order is yohimbine > chlorpromazine > phentolamine > mianserine > spiperone > prazosin > alprenolol > propanolol > pindolol
Gene Name:
ADRA2B
Uniprot ID:
P18089
Molecular weight:
49953.1
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
3. D(2) dopamine receptor
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the five types (D1 to D5) of receptors for dopamine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase
Gene Name:
DRD2
Uniprot ID:
P14416
Molecular weight:
50618.9
References
  1. Berlin I, de Brettes B, Aymard G, Diquet B, Arnulf I, Puech AJ: Dopaminergic drug response and the genotype (Taq IA polymorphism) of the dopamine D2 receptor. Int J Neuropsychopharmacol. 2000 Mar;3(1):35-43. [PubMed:11343576 ]
  2. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  3. Kim HJ, Koh PO, Kang SS, Paik WY, Choi WS: The localization of dopamine D2 receptor mRNA in the human placenta and the anti-angiogenic effect of apomorphine in the chorioallantoic membrane. Life Sci. 2001 Jan 19;68(9):1031-40. [PubMed:11212866 ]
  4. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
  5. Lam YW: Clinical pharmacology of dopamine agonists. Pharmacotherapy. 2000 Jan;20(1 Pt 2):17S-25S. [PubMed:10641988 ]
  6. Lucht MJ, Kuehn KU, Schroeder W, Armbruster J, Abraham G, Schattenberg A, Gaensicke M, Barnow S, Tretzel H, Herrmann FH, Freyberger HJ: Influence of the dopamine D2 receptor (DRD2) exon 8 genotype on efficacy of tiapride and clinical outcome of alcohol withdrawal. Pharmacogenetics. 2001 Nov;11(8):647-53. [PubMed:11692072 ]
  7. Yamada S: [Disruption of prepulse inhibition of acoustic startle as an animal model for schizophrenia]. Nihon Shinkei Seishin Yakurigaku Zasshi. 2000 Oct;20(4):131-9. [PubMed:11215397 ]
  8. Yamada S, Harano M, Annoh N, Nakamura K, Tanaka M: Involvement of serotonin 2A receptors in phencyclidine-induced disruption of prepulse inhibition of the acoustic startle in rats. Biol Psychiatry. 1999 Sep 15;46(6):832-8. [PubMed:10494453 ]
Enzyme Details
4. 5-hydroxytryptamine receptor 2B
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. This receptor mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system
Gene Name:
HTR2B
Uniprot ID:
P41595
Molecular weight:
54297.4
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
5. 5-hydroxytryptamine receptor 1B
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. The activity of this receptor is mediated by G proteins that inhibit adenylate cyclase activity
Gene Name:
HTR1B
Uniprot ID:
P28222
Molecular weight:
43567.5
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
6. D(4) dopamine receptor
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the five types (D1 to D5) of receptors for dopamine. The activity of this receptor is mediated by G proteins which inhibit adenylyl cyclase
Gene Name:
DRD4
Uniprot ID:
P21917
Molecular weight:
48359.9
References
  1. Boeckler F, Russig H, Zhang W, Lober S, Schetz J, Hubner H, Ferger B, Gmeiner P, Feldon J: FAUC 213, a highly selective dopamine D4 receptor full antagonist, exhibits atypical antipsychotic properties in behavioural and neurochemical models of schizophrenia. Psychopharmacology (Berl). 2004 Aug;175(1):7-17. Epub 2004 Mar 6. [PubMed:15007532 ]
  2. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  3. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
  4. Mansbach RS, Brooks EW, Sanner MA, Zorn SH: Selective dopamine D4 receptor antagonists reverse apomorphine-induced blockade of prepulse inhibition. Psychopharmacology (Berl). 1998 Jan;135(2):194-200. [PubMed:9497025 ]
  5. Melis MR, Succu S, Sanna F, Melis T, Mascia MS, Enguehard-Gueiffier C, Hubner H, Gmeiner P, Gueiffier A, Argiolas A: PIP3EA and PD-168077, two selective dopamine D4 receptor agonists, induce penile erection in male rats: site and mechanism of action in the brain. Eur J Neurosci. 2006 Oct;24(7):2021-30. [PubMed:17067298 ]
  6. Sanner MA, Chappie TA, Dunaiskis AR, Fliri AF, Desai KA, Zorn SH, Jackson ER, Johnson CG, Morrone JM, Seymour PA, Majchrzak MJ, Faraci WS, Collins JL, Duignan DB, Prete Di CC, Lee JS, Trozzi A: Synthesis, SAR and pharmacology of CP-293,019: a potent, selective dopamine D4 receptor antagonist. Bioorg Med Chem Lett. 1998 Apr 7;8(7):725-30. [PubMed:9871530 ]
  7. Succu S, Sanna F, Melis T, Boi A, Argiolas A, Melis MR: Stimulation of dopamine receptors in the paraventricular nucleus of the hypothalamus of male rats induces penile erection and increases extra-cellular dopamine in the nucleus accumbens: Involvement of central oxytocin. Neuropharmacology. 2007 Mar;52(3):1034-43. Epub 2006 Dec 11. [PubMed:17164075 ]
Enzyme Details
7. 5-hydroxytryptamine receptor 1A
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. The activity of this receptor is mediated by G proteins that inhibit adenylate cyclase activity
Gene Name:
HTR1A
Uniprot ID:
P08908
Molecular weight:
46106.3
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
8. 5-hydroxytryptamine receptor 2A
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. This receptor mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system. This receptor is involved in tracheal smooth muscle contraction, bronchoconstriction, and control of aldosterone production
Gene Name:
HTR2A
Uniprot ID:
P28223
Molecular weight:
52602.6
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
9. 5-hydroxytryptamine receptor 2C
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. This receptor mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system
Gene Name:
HTR2C
Uniprot ID:
P28335
Molecular weight:
51820.7
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]
Enzyme Details
10. 5-hydroxytryptamine receptor 1D
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. The activity of this receptor is mediated by G proteins that inhibit adenylate cyclase activity
Gene Name:
HTR1D
Uniprot ID:
P28221
Molecular weight:
41906.4
References
  1. Kvernmo T, Houben J, Sylte I: Receptor-binding and pharmacokinetic properties of dopaminergic agonists. Curr Top Med Chem. 2008;8(12):1049-67. [PubMed:18691132 ]

Only showing the first 10 proteins. There are 15 proteins in total.

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