Hmdb loader

Showing metabocard for Primidone (HMDB0014932)

Jump To Section:
IdentificationTaxonomyOntologyPhysical propertiesSpectraBiological propertiesConcentrationsLinksReferencesenzymes (14) Show 14 proteinsXML
enzymes (14) Show 14 proteins
Show more...Show more...Show more...Show more...
Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-06 15:16:50 UTC
Update Date2022-03-07 02:51:47 UTC
HMDB IDHMDB0014932
Secondary Accession Numbers
  • HMDB14932
Metabolite Identification
Common NamePrimidone
DescriptionPrimidone, also known as primidonum or mysoline, belongs to the class of organic compounds known as hydropyrimidines. Hydropyrimidines are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.). Primidone is an extremely weak basic (essentially neutral) compound (based on its pKa). Primidone is a potentially toxic compound.
Structure
Data?1582753236
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0014932 (Primidone)

794
  Mrv0541 02231215002D          

 16 17  0  0  0  0            999 V2000
    1.6500   -0.2467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.2467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
Download

3D MOL for HMDB0014932 (Primidone)

HMDB0014932
     RDKit          3D
Primidone
 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.8008   -2.4321    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -1.8796    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947   -0.4322   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131    0.0190   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324    1.2343   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6204    1.6849   -0.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    0.8963   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873   -0.3185    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0707   -0.7467    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.1861   -1.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901   -1.0600   -2.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    1.0210   -1.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    1.8009   -0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118    1.3595    0.8735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.3417    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6256    0.0423    2.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826   -1.7749    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7096   -3.4394    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071   -2.5741   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -2.5242   -0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -1.9368    1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.8543   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076    2.6678   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    1.2254   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -0.9811    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268   -1.7237    0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8889    1.3784   -2.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251    2.8748   -0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4323    1.7691   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3536    1.8394    1.6903 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  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15  3  1  0
  9  4  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
 14 30  1  0
M  END
Download

3D SDF for HMDB0014932 (Primidone)

794
  Mrv0541 02231215002D          

 16 17  0  0  0  0            999 V2000
    1.6500   -0.2467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5080   -0.2467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -1.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -1.4842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -0.2467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3645   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7935   -0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791   -1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8415    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0791    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    0.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7291    1.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3166    1.8967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  9  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  6 11  1  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014932

> <DATABASE_NAME>
hmdb

> <SMILES>
CCC1(C(=O)NCNC1=O)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)

> <INCHI_KEY>
DQMZLTXERSFNPB-UHFFFAOYSA-N

> <FORMULA>
C12H14N2O2

> <MOLECULAR_WEIGHT>
218.2518

> <EXACT_MASS>
218.105527702

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
22.443778126060693

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-ethyl-5-phenyl-1,3-diazinane-4,6-dione

> <ALOGPS_LOGP>
0.62

> <JCHEM_LOGP>
1.1182988526666666

> <ALOGPS_LOGS>
-2.32

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
11.620389416238778

> <JCHEM_PKA_STRONGEST_ACIDIC>
11.497225813561856

> <JCHEM_PKA_STRONGEST_BASIC>
-6.1729072262349876

> <JCHEM_POLAR_SURFACE_AREA>
58.2

> <JCHEM_REFRACTIVITY>
59.03760000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.04e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
primidone

> <JCHEM_VEBER_RULE>
0

$$$$
Download

3D-SDF for HMDB0014932 (Primidone)

HMDB0014932
     RDKit          3D
Primidone
 30 31  0  0  0  0  0  0  0  0999 V2000
   -1.8008   -2.4321    0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4002   -1.8796    0.3926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3947   -0.4322   -0.0088 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131    0.0190   -0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3324    1.2343   -0.6957 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6204    1.6849   -0.8272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6544    0.8963   -0.3766 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873   -0.3185    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0707   -0.7467    0.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909   -0.1861   -1.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0901   -1.0600   -2.1949 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7660    1.0210   -1.5004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3037    1.8009   -0.4366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9118    1.3595    0.8735 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9884    0.3417    1.1106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6256    0.0423    2.2745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3826   -1.7749    1.2150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7096   -3.4394    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3071   -2.5741   -0.4423 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -2.5242   -0.2370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -1.9368    1.4349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5292    1.8543   -1.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076    2.6678   -1.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6879    1.2254   -0.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1858   -0.9811    0.5666 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9268   -1.7237    0.7723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8889    1.3784   -2.4768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0251    2.8748   -0.5808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4323    1.7691   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3536    1.8394    1.6903 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  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15  3  1  0
  9  4  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  2 20  1  0
  2 21  1  0
  5 22  1  0
  6 23  1  0
  7 24  1  0
  8 25  1  0
  9 26  1  0
 12 27  1  0
 13 28  1  0
 13 29  1  0
 14 30  1  0
M  END
Download

PDB for HMDB0014932 (Primidone)

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 794                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       3.080  -0.461   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       8.415  -0.461   0.000  0.00  0.00           O+0
HETATM    3  N   UNK     0       4.414  -2.771   0.000  0.00  0.00           N+0
HETATM    4  N   UNK     0       7.081  -2.771   0.000  0.00  0.00           N+0
HETATM    5  C   UNK     0       5.748  -0.461   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.977   0.873   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.518   0.873   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.414  -1.231   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.081  -1.231   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.748  -3.541   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.437   0.873   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.748   2.207   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       8.058   0.873   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.518   3.541   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.828   2.207   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       8.058   3.541   0.000  0.00  0.00           C+0
CONECT    1    8                                                            
CONECT    2    9                                                            
CONECT    3    8   10                                                       
CONECT    4    9   10                                                       
CONECT    5    6    7    8    9                                             
CONECT    6    5   11                                                       
CONECT    7    5   12   13                                                  
CONECT    8    1    3    5                                                  
CONECT    9    2    4    5                                                  
CONECT   10    3    4                                                       
CONECT   11    6                                                            
CONECT   12    7   14                                                       
CONECT   13    7   15                                                       
CONECT   14   12   16                                                       
CONECT   15   13   16                                                       
CONECT   16   14   15                                                       
MASTER        0    0    0    0    0    0    0    0   16    0   34    0
END
Download

3D PDB for HMDB0014932 (Primidone)

COMPND    HMDB0014932
HETATM    1  C1  UNL     1      -1.801  -2.432   0.535  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.400  -1.880   0.393  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.395  -0.432  -0.009  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.013   0.019  -0.130  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.332   1.234  -0.696  1.00  0.00           C  
HETATM    6  C6  UNL     1       2.620   1.685  -0.827  1.00  0.00           C  
HETATM    7  C7  UNL     1       3.654   0.896  -0.377  1.00  0.00           C  
HETATM    8  C8  UNL     1       3.387  -0.318   0.193  1.00  0.00           C  
HETATM    9  C9  UNL     1       2.071  -0.747   0.311  1.00  0.00           C  
HETATM   10  C10 UNL     1      -1.091  -0.186  -1.281  1.00  0.00           C  
HETATM   11  O1  UNL     1      -1.090  -1.060  -2.195  1.00  0.00           O  
HETATM   12  N1  UNL     1      -1.766   1.021  -1.500  1.00  0.00           N  
HETATM   13  C11 UNL     1      -2.304   1.801  -0.437  1.00  0.00           C  
HETATM   14  N2  UNL     1      -1.912   1.360   0.873  1.00  0.00           N  
HETATM   15  C12 UNL     1      -0.988   0.342   1.111  1.00  0.00           C  
HETATM   16  O2  UNL     1      -0.626   0.042   2.275  1.00  0.00           O  
HETATM   17  H1  UNL     1      -2.383  -1.775   1.215  1.00  0.00           H  
HETATM   18  H2  UNL     1      -1.710  -3.439   0.995  1.00  0.00           H  
HETATM   19  H3  UNL     1      -2.307  -2.574  -0.442  1.00  0.00           H  
HETATM   20  H4  UNL     1       0.220  -2.524  -0.237  1.00  0.00           H  
HETATM   21  H5  UNL     1       0.036  -1.937   1.435  1.00  0.00           H  
HETATM   22  H6  UNL     1       0.529   1.854  -1.049  1.00  0.00           H  
HETATM   23  H7  UNL     1       2.808   2.668  -1.290  1.00  0.00           H  
HETATM   24  H8  UNL     1       4.688   1.225  -0.466  1.00  0.00           H  
HETATM   25  H9  UNL     1       4.186  -0.981   0.567  1.00  0.00           H  
HETATM   26  H10 UNL     1       1.927  -1.724   0.772  1.00  0.00           H  
HETATM   27  H11 UNL     1      -1.889   1.378  -2.477  1.00  0.00           H  
HETATM   28  H12 UNL     1      -2.025   2.875  -0.581  1.00  0.00           H  
HETATM   29  H13 UNL     1      -3.432   1.769  -0.456  1.00  0.00           H  
HETATM   30  H14 UNL     1      -2.354   1.839   1.690  1.00  0.00           H  
CONECT    1    2   17   18   19
CONECT    2    3   20   21
CONECT    3    4   10   15
CONECT    4    5    5    9
CONECT    5    6   22
CONECT    6    7    7   23
CONECT    7    8   24
CONECT    8    9    9   25
CONECT    9   26
CONECT   10   11   11   12
CONECT   12   13   27
CONECT   13   14   28   29
CONECT   14   15   30
CONECT   15   16   16
END
Download

SMILES for HMDB0014932 (Primidone)

CCC1(C(=O)NCNC1=O)C1=CC=CC=C1
Download

INCHI for HMDB0014932 (Primidone)

InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
Download
View in JSmolView Stereo Labels
Synonyms
Chemical FormulaC12H14N2O2
Average Molecular Weight218.2518
Monoisotopic Molecular Weight218.105527702
IUPAC Name5-ethyl-5-phenyl-1,3-diazinane-4,6-dione
Traditional Nameprimidone
CAS Registry Number125-33-7
SMILES
CCC1(C(=O)NCNC1=O)C1=CC=CC=C1
InChI Identifier
InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16)
InChI KeyDQMZLTXERSFNPB-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as hydropyrimidines. Hydropyrimidines are compounds containing a hydrogenated pyrimidine ring (i.E. Containing less than the maximum number of double bonds.).
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazines
Sub ClassPyrimidines and pyrimidine derivatives
Direct ParentHydropyrimidines
Alternative Parents
Substituents
  • Benzenoid
  • 2,5-dihydropyrimidine
  • Hydropyrimidine
  • Monocyclic benzene moiety
  • Cyclic carboximidic acid
  • Azacycle
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Organic nitrogen compound
  • Organic oxygen compound
  • Organopnictogen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Biological locationSource
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point281.5 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.04 g/LNot Available
LogP1.6Not Available
Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct TypeData SourceCCS Value (Å2)Reference
[M+H]+Not Available146.879http://allccs.zhulab.cn/database/detail?ID=AllCCS00000983
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 DB00794 details
UrineExpected but not QuantifiedNot QuantifiedNot AvailableNot AvailableTaking drug identified by DrugBank entry DB00794 details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDDB00794
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID4740
KEGG Compound IDC07371
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkPrimidone
METLIN IDNot Available
PubChem Compound4909
PDB IDNot Available
ChEBI ID8412
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. Young MC, Hughes IA: Loss of therapeutic control in congenital adrenal hyperplasia due to interaction between dexamethasone and primidone. Acta Paediatr Scand. 1991 Jan;80(1):120-4. [PubMed:2028784 ]
  2. Brown GM, Stone GH, Rathbone MP: Primidone and rapid cycling affective disorders. Lancet. 1993 Oct 9;342(8876):925. [PubMed:8105181 ]
  3. Schaffer LC, Schaffer CB, Caretto J: The use of primidone in the treatment of refractory bipolar disorder. Ann Clin Psychiatry. 1999 Jun;11(2):61-6. [PubMed:10440522 ]
  4. Murphy K, Delanty N: Primary Generalized Epilepsies. Curr Treat Options Neurol. 2000 Nov;2(6):527-542. [PubMed:11096777 ]
  5. Kagitani-Shimono K, Imai K, Okamoto N, Ono J, Okada S: Unverricht-Lundborg disease with cystatin B gene abnormalities. Pediatr Neurol. 2002 Jan;26(1):55-60. [PubMed:11814737 ]

Only showing the first 10 proteins. There are 14 proteins in total.

Show all enzymes and transporters

Enzymes

Enzyme Details
1. Cytochrome P450 3A4
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It performs a variety of oxidation reactions (e.g. caffeine 8-oxidation, omeprazole sulphoxidation, midazolam 1'-hydroxylation and midazolam 4-hydroxylation) of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,8-cineole 2-exo-monooxygenase. The enzyme also hydroxylates etoposide.
Gene Name:
CYP3A4
Uniprot ID:
P08684
Molecular weight:
57255.585
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
2. Cytochrome P450 2C9
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. This enzyme contributes to the wide pharmacokinetics variability of the metabolism of drugs such as S-warfarin, diclofenac, phenytoin, tolbutamide and losartan.
Gene Name:
CYP2C9
Uniprot ID:
P11712
Molecular weight:
55627.365
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
3. Cytochrome P450 2C19
General function:
Involved in monooxygenase activity
Specific function:
Responsible for the metabolism of a number of therapeutic agents such as the anticonvulsant drug S-mephenytoin, omeprazole, proguanil, certain barbiturates, diazepam, propranolol, citalopram and imipramine.
Gene Name:
CYP2C19
Uniprot ID:
P33261
Molecular weight:
55944.565
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
4. Cytochrome P450 2B6
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.
Gene Name:
CYP2B6
Uniprot ID:
P20813
Molecular weight:
56277.81
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
5. Cytochrome P450 1A2
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Most active in catalyzing 2-hydroxylation. Caffeine is metabolized primarily by cytochrome CYP1A2 in the liver through an initial N3-demethylation. Also acts in the metabolism of aflatoxin B1 and acetaminophen. Participates in the bioactivation of carcinogenic aromatic and heterocyclic amines. Catalizes the N-hydroxylation of heterocyclic amines and the O-deethylation of phenacetin.
Gene Name:
CYP1A2
Uniprot ID:
P05177
Molecular weight:
58406.915
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
6. Cytochrome P450 2C8
General function:
Involved in monooxygenase activity
Specific function:
Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. In the epoxidation of arachidonic acid it generates only 14,15- and 11,12-cis-epoxyeicosatrienoic acids. It is the principal enzyme responsible for the metabolism the anti-cancer drug paclitaxel (taxol).
Gene Name:
CYP2C8
Uniprot ID:
P10632
Molecular weight:
55824.275
References
  1. Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]
Enzyme Details
7. Glutamate receptor, ionotropic kainate 2
General function:
Involved in ionotropic glutamate receptor activity
Specific function:
Ionotropic glutamate receptor. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system. Binding of the excitatory neurotransmitter L- glutamate induces a conformation change, leading to the opening of the cation channel, and thereby converts the chemical signal to an electrical impulse. The receptor then desensitizes rapidly and enters a transient inactive state, characterized by the presence of bound agonist. May be involved in the transmission of light information from the retina to the hypothalamus. Modulates cell surface expression of NETO2
Gene Name:
GRIK2
Uniprot ID:
Q13002
Molecular weight:
102582.5
References
  1. Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51. [PubMed:11264449 ]
  2. Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303. [PubMed:10487207 ]
Enzyme Details
8. Glutamate receptor 2
General function:
Involved in ionotropic glutamate receptor activity
Specific function:
Ionotropic glutamate receptor. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system. Binding of the excitatory neurotransmitter L- glutamate induces a conformation change, leading to the opening of the cation channel, and thereby converts the chemical signal to an electrical impulse. The receptor then desensitizes rapidly and enters a transient inactive state, characterized by the presence of bound agonist
Gene Name:
GRIA2
Uniprot ID:
P42262
Molecular weight:
98820.3
References
  1. Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51. [PubMed:11264449 ]
  2. Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303. [PubMed:10487207 ]
Enzyme Details
9. Gamma-aminobutyric acid receptor subunit alpha-1
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRA1
Uniprot ID:
P14867
Molecular weight:
51801.4
References
  1. Whiting PJ: The GABAA receptor gene family: new opportunities for drug development. Curr Opin Drug Discov Devel. 2003 Sep;6(5):648-57. [PubMed:14579514 ]
  2. Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217. [PubMed:10209232 ]
  3. Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51. [PubMed:11264449 ]
  4. Krasowski MD, Harrison NL: General anaesthetic actions on ligand-gated ion channels. Cell Mol Life Sci. 1999 Aug 15;55(10):1278-303. [PubMed:10487207 ]
  5. Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352 ]
  6. 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 ]
  7. 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 ]
Enzyme Details
10. Gamma-aminobutyric acid receptor subunit alpha-2
General function:
Involved in ion transport
Specific function:
GABA, the major inhibitory neurotransmitter in the vertebrate brain, mediates neuronal inhibition by binding to the GABA/benzodiazepine receptor and opening an integral chloride channel
Gene Name:
GABRA2
Uniprot ID:
P47869
Molecular weight:
51325.9
References
  1. Yamakura T, Bertaccini E, Trudell JR, Harris RA: Anesthetics and ion channels: molecular models and sites of action. Annu Rev Pharmacol Toxicol. 2001;41:23-51. [PubMed:11264449 ]
  2. Mehta AK, Ticku MK: An update on GABAA receptors. Brain Res Brain Res Rev. 1999 Apr;29(2-3):196-217. [PubMed:10209232 ]

Only showing the first 10 proteins. There are 14 proteins in total.

Show all enzymes and transporters