Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR0842)
Drug Name
Hypoxanthine
Synonyms
hypoxanthine; 68-94-0; 6-Hydroxypurine; 9H-Purin-6-ol; Sarkin; 6-Oxopurine; Sarcine; Sarkine; 7H-Purin-6-ol; Purin-6(1H)-one; Purin-6-ol; Hypoxanthine enol; 6(1H)-Purinone; 1,7-Dihydro-6H-purin-6-one; 3H-Purin-6-ol; 9H-Purin-6(1H)-one; Purin-6(3H)-one; 6-Hydroxy-1H-purine; 6H-Purin-6-one, 1,7-dihydro-; Purine-6-ol; 1H-Purin-6(9H)-one; 9H-Purin-6-ol (VAN); 1,9-dihydro-6H-purin-6-one; 6H-Purin-6-one, 1,9-dihydro-; MFCD00005725; NSC 14665; 1H-Purin-6-ol (9CI); 3H-Purin-6-ol (9CI); UNII-2TN51YD919; 1h-purin-6-ol; 6,7-dihydro-3H-purin-6-one; 146469-94-5; 1,7-Dihydro-6H-purine-6-one; CHEBI:17368; AI3-52242; EINECS 200-697-3; 1,9-dihydropurin-6-one; 95121-06-5; HX; CHEMBL1427; Hypoxanthine (VAN) (8CI); 146469-95-6; 51953-04-9; FDGQSTZJBFJUBT-UHFFFAOYSA-N; 2TN51YD919
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 136.11 Topological Polar Surface Area 70.1
Heavy Atom Count 10 Rotatable Bond Count 0
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 2
Cross-matching ID
PubChem CID
790
PubChem SID
2813 ; 3560 ; 540767 ; 589179 ; 618936 ; 3133523 ; 5248991 ; 6282154 ; 6356782 ; 6380308 ; 7888201 ; 8144165 ; 10532804 ; 11088539 ; 11341732 ; 11361915 ; 11364311 ; 11366873 ; 11369435 ; 11372482 ; 11375322 ; 11377597 ; 11485610 ; 11487317 ; 11489723 ; 11491167 ; 11493556 ; 11495231 ; 11536560 ; 11538005 ; 14747719 ; 15016626 ; 16142119 ; 16769078 ; 16997017 ; 22389259 ; 24439150 ; 24895400 ; 24895850 ; 24895864 ; 26613338 ; 26679242 ; 26702295 ; 26702297 ; 26702301 ; 26707407 ; 26707409 ; 26707413 ; 26710045 ; 26710449
CAS Number
68-94-0
TTD Drug ID
D03HVE
Formula
C5H4N4O
Canonical SMILES
C1=NC2=C(N1)C(=O)N=CN2
InChI
1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
FDGQSTZJBFJUBT-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Uric acid DM000021
1175
Conjugation - Glucuronidation 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR007055 Hypoxanthine Uric acid Conjugation - Glucuronidation XDH [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Xanthine dehydrogenase/oxidase (XDH) DME0070 Homo sapiens
XDH_HUMAN
1.17.1.4
[3]
References
1 The IUPHAR/BPS Guide to PHARMACOLOGY in 2020: extending immunopharmacology content and introducing the IUPHAR/MMV Guide to MALARIA PHARMACOLOGY. Nucleic Acids Res. 2020 Jan 8;48(D1):D1006-D1021. (Ligand id: 4555).
2 Rapid determination of five probe drugs and their metabolites in human plasma and urine by liquid chromatography/tandem mass spectrometry: application to cytochrome P450 phenotyping studies. Rapid Commun Mass Spectrom. 2004;18(23):2921-33.
3 T3DB:Hypoxanthine

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