Details of the Drug

General Information of Drug (ID: DMFWZ2U)

Drug Name
Valopicitabine dihydrochloride
Synonyms Valopicitabine; NM-106; NM-107; NM-283; NMC-283; Hepatitis C therapeutics, Novartis/Idenix; 2'-C-methylcytidine
Indication
Disease Entry ICD 11 Status REF
Virus infection 1A24-1D9Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
1		 Molecular Weight 429.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 6
Hydrogen Bond Donor Count 6
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C15H26Cl2N4O6
IUPAC Name
[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)-4-methyloxolan-3-yl] (2S)-2-amino-3-methylbutanoate;dihydrochloride
Canonical SMILES
CC(C)[C@@H](C(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)O)N2C=CC(=NC2=O)N)CO)N.Cl.Cl
InChI
InChI=1S/C15H24N4O6.2ClH/c1-7(2)10(17)12(21)25-11-8(6-20)24-13(15(11,3)23)19-5-4-9(16)18-14(19)22;;/h4-5,7-8,10-11,13,20,23H,6,17H2,1-3H3,(H2,16,18,22);2*1H/t8-,10+,11-,13-,15-;;/m1../s1
InChIKey
XENHXZMAOSTXGD-DSMKLBDQSA-N
Cross-matching ID
PubChem CID
11293303
CAS Number
640725-71-9
UNII
I2T0B5G94M
DrugBank ID
DB13920
TTD ID
D08GBB

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hepatitis C virus RNA-directed RNA polymerase (HCV NS5B) TTMVBWH POLG_HCV1 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00395421) Study to Evaluate Drug-drug Interaction Between Valopicitabine and Ribavirin. U.S. National Institutes of Health.
2 Valopicitabine dihydrochloride:a specific polymerase inhibitor of hepatitis C virus. Curr Opin Investig Drugs. 2007 Feb;8(2):150-8.