General
Preferred name
BECLABUVIR
Synonyms
BMS-791325 ()
P&D ID
PD057927
CAS
958002-33-0
Tags
available
drug
Approved by
PMDA
First approval
2016
Drug Status
approved
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the hepatitis C virus (HCV) NS5B RNA-dependent RNA polymerase, and inhibits recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 with IC50 of < 28 nM[1][2].
PRICE 420
DESCRIPTION Beclabuvir is an allosteric inhibitor that binds to thumb site 1 of the HCV NS5B RNA-dependent RNA polymerase, inhibiting recombinant NS5B proteins from HCV genotypes 1, 3, 4, and 5 (IC50 < 28 nM).
Compound Sets
5
CZ-OPENSCREEN Bioactive Library
DrugCentral
5215
DrugCentral Approved Drugs
5215
MedChem Express Bioactive Compound Library
HY-12429
Other bioactive compounds
External IDs
18
Properties
(calculated by RDKit )
Molecular Weight
659.31
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
8
Aromatic Ring Count
3
cLogP
4.69
TPSA
104.19
Fraction CSP3
0.56
Chiral centers
4.0
Largest ring
7.0
QED
0.41
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
HCV Protease
HCV
Pathway
Metabolic Enzyme/Protease
Anti-infection
Source data