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Showing metabocard for Phendimetrazine (HMDB0015519)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:52 UTC
Update Date2022-03-07 02:52:00 UTC
HMDB IDHMDB0015519
Secondary Accession Numbers
  • HMDB15519
Metabolite Identification
Common NamePhendimetrazine
DescriptionPhendimetrazine, also known as hyrex or di-ap-trol, belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond. Based on a literature review very few articles have been published on Phendimetrazine.
Structure
Data?1582753305
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0015519 (Phendimetrazine)

1579
  Mrv0541 02231215342D          

 14 15  0  0  1  0            999 V2000
    4.5080    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
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3D MOL for HMDB0015519 (Phendimetrazine)

HMDB0015519
     RDKit          3D
Phendimetrazine
 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.8151    0.8472   -1.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723    0.2921   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0540   -0.8866   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4423   -0.3559   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9194    0.1425    1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1991    0.6469    1.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0318    0.6512    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    0.1564   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958   -0.3382   -1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -1.6832    0.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649   -1.9533    1.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -0.6568    1.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478   -0.0911   -0.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    0.9989   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.8982   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    1.8542   -1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905    0.1525   -2.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    1.0648    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232   -1.4495   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    0.1472    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0273    2.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0268    1.0429    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    0.1858   -1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -0.7157   -2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -2.4412    2.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686   -2.6315    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2963   -0.9012    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    0.0385    1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9159    1.0912    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162    0.9117   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5771    1.9547   -0.2061 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  3 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13  2  1  0
  9  4  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 14 29  1  0
 14 30  1  0
 14 31  1  0
M  END
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3D SDF for HMDB0015519 (Phendimetrazine)

1579
  Mrv0541 02231215342D          

 14 15  0  0  1  0            999 V2000
    4.5080    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.0313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2224    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.0313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645    1.8563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6500    1.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 14  2  0  0  0  0
 13 14  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0015519

> <DATABASE_NAME>
hmdb

> <SMILES>
CC1C(OCCN1C)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3

> <INCHI_KEY>
MFOCDFTXLCYLKU-UHFFFAOYSA-N

> <FORMULA>
C12H17NO

> <MOLECULAR_WEIGHT>
191.2695

> <EXACT_MASS>
191.131014171

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
21.989152060139638

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
3,4-dimethyl-2-phenylmorpholine

> <ALOGPS_LOGP>
2.01

> <JCHEM_LOGP>
2.1724842260000004

> <ALOGPS_LOGS>
-1.90

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
7.276824781278643

> <JCHEM_POLAR_SURFACE_AREA>
12.47

> <JCHEM_REFRACTIVITY>
57.76420000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
2.43e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
phendimetrazine

> <JCHEM_VEBER_RULE>
1

$$$$
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3D-SDF for HMDB0015519 (Phendimetrazine)

HMDB0015519
     RDKit          3D
Phendimetrazine
 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.8151    0.8472   -1.6766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8723    0.2921   -0.2831 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0540   -0.8866   -0.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4423   -0.3559   -0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9194    0.1425    1.0934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1991    0.6469    1.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0318    0.6512    0.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5786    0.1564   -1.0832 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2958   -0.3382   -1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552   -1.6832    0.9109 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4649   -1.9533    1.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2778   -0.6568    1.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2478   -0.0911   -0.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1397    0.9989   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2034    0.8982   -2.0547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690    1.8542   -1.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3905    0.1525   -2.3367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5342    1.0648    0.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0232   -1.4495   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2816    0.1472    1.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.0273    2.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0268    1.0429    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2755    0.1858   -1.9111 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9773   -0.7157   -2.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5060   -2.4412    2.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9686   -2.6315    0.4884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2963   -0.9012    1.6457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    0.0385    1.9730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9159    1.0912    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6162    0.9117   -1.2333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5771    1.9547   -0.2061 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  3 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13  2  1  0
  9  4  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  2 18  1  0
  3 19  1  0
  5 20  1  0
  6 21  1  0
  7 22  1  0
  8 23  1  0
  9 24  1  0
 11 25  1  0
 11 26  1  0
 12 27  1  0
 12 28  1  0
 14 29  1  0
 14 30  1  0
 14 31  1  0
M  END
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PDB for HMDB0015519 (Phendimetrazine)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1579                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       8.415   1.155   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0       8.415  -1.925   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       7.081  -1.155   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.081   0.385   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.748  -1.155   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.748   0.385   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.748  -1.925   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.748   1.155   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.415  -3.465   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.414   0.385   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.748   2.695   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       3.080   1.155   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.414   3.465   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.080   2.695   0.000  0.00  0.00           C+0
CONECT    1    4    6                                                       
CONECT    2    3    5    9                                                  
CONECT    3    2    4    7                                                  
CONECT    4    1    3    8                                                  
CONECT    5    2    6                                                       
CONECT    6    1    5                                                       
CONECT    7    3                                                            
CONECT    8    4   10   11                                                  
CONECT    9    2                                                            
CONECT   10    8   12                                                       
CONECT   11    8   13                                                       
CONECT   12   10   14                                                       
CONECT   13   11   14                                                       
CONECT   14   12   13                                                       
MASTER        0    0    0    0    0    0    0    0   14    0   30    0
END
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3D PDB for HMDB0015519 (Phendimetrazine)

COMPND    HMDB0015519
HETATM    1  C1  UNL     1      -0.815   0.847  -1.677  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.872   0.292  -0.283  1.00  0.00           C  
HETATM    3  C3  UNL     1       0.054  -0.887  -0.191  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.442  -0.356  -0.101  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.919   0.143   1.093  1.00  0.00           C  
HETATM    6  C6  UNL     1       3.199   0.647   1.233  1.00  0.00           C  
HETATM    7  C7  UNL     1       4.032   0.651   0.130  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.579   0.156  -1.083  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.296  -0.338  -1.182  1.00  0.00           C  
HETATM   10  O1  UNL     1      -0.155  -1.683   0.911  1.00  0.00           O  
HETATM   11  C10 UNL     1      -1.465  -1.953   1.199  1.00  0.00           C  
HETATM   12  C11 UNL     1      -2.278  -0.657   1.301  1.00  0.00           C  
HETATM   13  N1  UNL     1      -2.248  -0.091  -0.023  1.00  0.00           N  
HETATM   14  C12 UNL     1      -3.140   0.999  -0.215  1.00  0.00           C  
HETATM   15  H1  UNL     1       0.203   0.898  -2.055  1.00  0.00           H  
HETATM   16  H2  UNL     1      -1.269   1.854  -1.772  1.00  0.00           H  
HETATM   17  H3  UNL     1      -1.391   0.153  -2.337  1.00  0.00           H  
HETATM   18  H4  UNL     1      -0.534   1.065   0.408  1.00  0.00           H  
HETATM   19  H5  UNL     1      -0.023  -1.449  -1.150  1.00  0.00           H  
HETATM   20  H6  UNL     1       1.282   0.147   1.967  1.00  0.00           H  
HETATM   21  H7  UNL     1       3.520   1.027   2.202  1.00  0.00           H  
HETATM   22  H8  UNL     1       5.027   1.043   0.236  1.00  0.00           H  
HETATM   23  H9  UNL     1       4.276   0.186  -1.911  1.00  0.00           H  
HETATM   24  H10 UNL     1       1.977  -0.716  -2.144  1.00  0.00           H  
HETATM   25  H11 UNL     1      -1.506  -2.441   2.194  1.00  0.00           H  
HETATM   26  H12 UNL     1      -1.969  -2.632   0.488  1.00  0.00           H  
HETATM   27  H13 UNL     1      -3.296  -0.901   1.646  1.00  0.00           H  
HETATM   28  H14 UNL     1      -1.736   0.039   1.973  1.00  0.00           H  
HETATM   29  H15 UNL     1      -3.916   1.091   0.582  1.00  0.00           H  
HETATM   30  H16 UNL     1      -3.616   0.912  -1.233  1.00  0.00           H  
HETATM   31  H17 UNL     1      -2.577   1.955  -0.206  1.00  0.00           H  
CONECT    1    2   15   16   17
CONECT    2    3   13   18
CONECT    3    4   10   19
CONECT    4    5    5    9
CONECT    5    6   20
CONECT    6    7    7   21
CONECT    7    8   22
CONECT    8    9    9   23
CONECT    9   24
CONECT   10   11
CONECT   11   12   25   26
CONECT   12   13   27   28
CONECT   13   14
CONECT   14   29   30   31
END
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SMILES for HMDB0015519 (Phendimetrazine)

CC1C(OCCN1C)C1=CC=CC=C1
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INCHI for HMDB0015519 (Phendimetrazine)

InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
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View in JSmolView NMR AssignmentsView Stereo Labels
Synonyms
Chemical FormulaC12H17NO
Average Molecular Weight191.2695
Monoisotopic Molecular Weight191.131014171
IUPAC Name3,4-dimethyl-2-phenylmorpholine
Traditional Namephendimetrazine
CAS Registry Number634-03-7
SMILES
CC1C(OCCN1C)C1=CC=CC=C1
InChI Identifier
InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChI KeyMFOCDFTXLCYLKU-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassOxazinanes
Sub ClassMorpholines
Direct ParentPhenylmorpholines
Alternative Parents
Substituents
  • Phenylmorpholine
  • Aralkylamine
  • Monocyclic benzene moiety
  • Benzenoid
  • Tertiary amine
  • Tertiary aliphatic amine
  • Dialkyl ether
  • Ether
  • Oxacycle
  • Azacycle
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Amine
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point134.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2.43 g/LNot Available
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
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 DB01579 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB01579 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID11950
KEGG Compound IDC07904
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPhendimetrazine
METLIN IDNot Available
PubChem Compound12460
PDB IDNot Available
ChEBI ID674499
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 ReferencesNot Available

Enzymes

Enzyme Details
1. Alpha-1A adrenergic receptor
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This alpha-adrenergic receptor mediates its action by association with G proteins that activate a phosphatidylinositol- calcium second messenger system. Its effect is mediated by G(q) and G(11) proteins
Gene Name:
ADRA1A
Uniprot ID:
P35348
Molecular weight:
51486.0
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Bray GA: Drug Insight: appetite suppressants. Nat Clin Pract Gastroenterol Hepatol. 2005 Feb;2(2):89-95. [PubMed:16265126 ]
  4. Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60. [PubMed:11054601 ]
  5. Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59. [PubMed:17017961 ]
Enzyme Details
2. Alpha-1B adrenergic receptor
General function:
Involved in G-protein coupled receptor protein signaling pathway
Specific function:
This alpha-adrenergic receptor mediates its action by association with G proteins that activate a phosphatidylinositol- calcium second messenger system
Gene Name:
ADRA1B
Uniprot ID:
P35368
Molecular weight:
56835.4
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
  3. Bray GA: Drug Insight: appetite suppressants. Nat Clin Pract Gastroenterol Hepatol. 2005 Feb;2(2):89-95. [PubMed:16265126 ]
  4. Bray GA: A concise review on the therapeutics of obesity. Nutrition. 2000 Oct;16(10):953-60. [PubMed:11054601 ]
  5. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  6. Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59. [PubMed:17017961 ]

Transporters

Enzyme Details
1. Sodium-dependent noradrenaline transporter
General function:
Involved in neurotransmitter:sodium symporter activity
Specific function:
Amine transporter. Terminates the action of noradrenaline by its high affinity sodium-dependent reuptake into presynaptic terminals.
Gene Name:
SLC6A2
Uniprot ID:
P23975
Molecular weight:
69331.42
References
  1. Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59. [PubMed:17017961 ]