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]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

229.26

Logarithm of the Partition Coefficient (xlogp)

-1.2

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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
UNII: K1YX059ML1
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.