HCV-086

Status : investigational

Description

HCV-086 is a small molecule antiviral designed to block an enzyme required for the replication of the hepatitis C virus.

Used

Investigated for use/treatment in hepatitis (viral, C).

Mechanism Of Action

This drug inhibits polymerase enzyme which encourages hepatitis C virus (HCV) infections.

Chemical Classification

This compound belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

2-arylbenzofuran flavonoids

Organic compounds

Phenylpropanoids and polyketides

2-arylbenzofuran flavonoids

Calculated Property

kind Value Source
logP 3.27 ALOGPS
logS -4.1 ALOGPS
Water Solubility 3.57e-02 g/l ALOGPS
logP 1.91 ChemAxon
IUPAC Name 2-(4-fluorophenyl)-6-methanesulfonamido-N-methyl-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide ChemAxon
Traditional IUPAC Name 2-(4-fluorophenyl)-5-isopropoxy-6-methanesulfonamido-N-methyl-1-benzofuran-3-carboxamide ChemAxon
Molecular Weight 420.455 ChemAxon
Monoisotopic Weight 420.115520687 ChemAxon
SMILES CNC(=O)C1=C(OC2=CC(NS(C)(=O)=O)=C(OC(C)C)C=C12)C1=CC=C(F)C=C1 ChemAxon
Molecular Formula C20H21FN2O5S ChemAxon
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) ChemAxon
InChIKey InChIKey=VBRUONUESYTIDA-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 97.64 ChemAxon
Refractivity 106.42 ChemAxon
Polarizability 42.83 ChemAxon
Rotatable Bond Count 5 ChemAxon
H Bond Acceptor Count 4 ChemAxon
H Bond Donor Count 2 ChemAxon
pKa (strongest acidic) 7.05 ChemAxon
pKa (strongest basic) -1.7 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon