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

General Information of Drug (ID: DR3467)
Drug Name
Apricitabine
Synonyms
Apricitabine; 160707-69-7; AVX754; AVX 754; UNII-K1YX059ML1; BCH 10618; (-)-dOTC; (-)-BCH 10652; K1YX059ML1; AVX-754; SPD-754; BCH-10618; 4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one; 4-Amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]-2(1H)-pyrimidinone; BCH-10652; 2(1H)-Pyrimidinone, 4-amino-1-((2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl)-; 2(1H)-Pyrimidinone, 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-4-yl)-, (2R-cis)-; Apricitabine [INN]; SPD754; BCH-10619; SPD 754; AC1L9S1I; (+/-)dOTC
Indication Human immunodeficiency virus infection [ICD11: 1C60-1C62] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 229.26 Topological Polar Surface Area 113
Heavy Atom Count 15 Rotatable Bond Count 2
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
455041
CAS Number
160707-69-7
TTD Drug ID
D0V9QR
Formula
C8H11N3O3S
Canonical SMILES
C1[C@@H](S[C@@H](O1)CO)N2C=CC(=NC2=O)N
InChI
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-14-7(3-12)15-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7-/m1/s1
InChIKey
RYMCFYKJDVMSIR-RNFRBKRXSA-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
Triphosphate (TP) derivatives DM017624 N. A. Conjugation - Phosphorylation 1 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009090 Apricitabine Triphosphate (TP) derivatives Conjugation - Phosphorylation DCK [2]
References
1 ClinicalTrials.gov (NCT00686270) A Long Term Safety Study of Apricitabine in HIV-infected Patients. U.S. National Institutes of Health.
2 In vitro interactions between apricitabine and other deoxycytidine analogues

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