Details of the Drug

General Information of Drug (ID: DM1K78U)

• 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

Disease Entry	ICD 11	Status	REF
Human immunodeficiency virus infection	1C62	Phase 3	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 229.26
  Logarithm of the Partition Coefficient (xlogp); -1.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C8H11N3O3S
  IUPAC Name: 4-amino-1-[(2R,4R)-2-(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidin-2-one
  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
• Cross-matching ID:
  PubChem CID: 455041
  CAS Number: 160707-69-7
  DrugBank ID: DB12855
  TTD ID: D0V9QR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human immunodeficiency virus Reverse transcriptase (HIV RT)	TT84ETX	POL_HV1B1	Modulator	[2]

References

• [1] ClinicalTrials.gov (NCT00686270) A Long Term Safety Study of Apricitabine in HIV-infected Patients. U.S. National Institutes of Health.
• [2] Multiple-dose pharmacokinetics of apricitabine, a novel nucleoside reverse transcriptase inhibitor, in patients with HIV-1 infection. Clin Drug Investig. 2008;28(2):129-38.