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

General Information of Drug (ID: DR5448)
Drug Name
Didanosine
Synonyms
didanosine; 69655-05-6; DIDEOXYINOSINE; Videx; Videx EC; Inosine, 2',3'-dideoxy-; ddIno; Didanosina; Didanosinum; DDI; BMY-40900; UNII-K3GDH6OH08; K3GDH6OH08; Didanosinum [INN-Latin]; Didanosina [INN-Spanish]; CHEBI:490877; 9-(2,3-Dideoxy-beta-D-ribofuranosyl)-6-oxopurine; NSC 612049; 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one; 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE; NCGC00159514-02; NCGC00090691-03; DRG-0016; BMY 40900; DSSTox_CID_2927
Indication Human immunodeficiency virus infection [ICD11: 1C60-1C62] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 236.23 Topological Polar Surface Area 88.7
Heavy Atom Count 17 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
135398739
ChEBI ID
CHEBI:490877
CAS Number
69655-05-6
TTD Drug ID
D06FDR
Formula
C10H12N4O3
Canonical SMILES
C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O
InChI
InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1
InChIKey
BXZVVICBKDXVGW-NKWVEPMBSA-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
2,3-dideoxyadenosine-5-triphosphate DM017480 N. A. Unclear - Unclear 1 [2]
Naproxen metabolite M1 DM003064
135398638
Unclear - Unclear 1 [3]
Uric acid DM000021
1175
Unclear - Unclear 1 [2]
Xanthine DM003088
1188
Unclear - Unclear 1 [2]
Uric acid DM000021
1175
Unclear - Unclear 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR008771 Didanosine Hypoxanthine Unclear - Unclear Unclear [3]
MR008773 Didanosine Uric acid Unclear - Unclear Unclear [2]
MR008774 Didanosine Xanthine Unclear - Unclear Unclear [2]
MR008775 Didanosine 2,3-dideoxyadenosine-5-triphosphate Unclear - Unclear Unclear [2]
MR008772 Hypoxanthine Uric acid Unclear - Unclear Unclear [3]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4833).
2 DrugBank(Pharmacology-Metabolism):Didanosine
3 Comparative metabolism of the antiviral dimer 3'-azido-3'-deoxythymidine-P-2',3'-dideoxyinosine and the monomers zidovudine and didanosine by rat, monkey, and human hepatocytes

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