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

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.