Details of the Drug

General Information of Drug (ID: DM2RF06)

Drug Name

HCV-086

Synonyms

VP-18344

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis virus infection	1E50-1E51	Discontinued in Phase 1	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

420.5

Logarithm of the Partition Coefficient (xlogp)

3.1

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C20H21FN2O5S
IUPAC Name: 2-(4-fluorophenyl)-6-(methanesulfonamido)-N-methyl-5-propan-2-yloxy-1-benzofuran-3-carboxamide
Canonical SMILES: CC(C)OC1=C(C=C2C(=C1)C(=C(O2)C3=CC=C(C=C3)F)C(=O)NC)NS(=O)(=O)C
InChI: InChI=1S/C20H21FN2O5S/c1-11(2)27-17-9-14-16(10-15(17)23-29(4,25)26)28-19(18(14)20(24)22-3)12-5-7-13(21)8-6-12/h5-11,23H,1-4H3,(H,22,24)
InChIKey: VBRUONUESYTIDA-UHFFFAOYSA-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	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800020428)
2	Challenges and successes in developing new therapies for hepatitis C. Nature. 2005 Aug 18;436(7053):953-60.