General
Preferred name
O-Methylbroussochalcone B
Synonyms
4'-O-Methylbavachalcone ()
1-[2-Hydroxy-4-methoxy-5-(3-methyl-2-butenyl)phenyl]-3-(4-hydrox ()
(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one ()
P&D ID
PD005129
CAS
20784-60-5
Tags
available
drug candidate
Drug Status
experimental
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 4'-O-Methylbavachalcone is a chalcone isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity, with an IC50 of 10.1 ¦ÌM[1].
PRICE 106
DESCRIPTION 4'-O-Methylbavachalcone (O-Methylbroussochalcone B) is isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity (IC50: 10.1 ??M).
DESCRIPTION 4'-O-Methylbavachalcone (O-Methylbroussochalcone B) is isolated from Psoralea corylifolia, inhibits severe acute respiratory syndrome coronavirus (SARS-CoV) papain-like protease (PLpro) activity (IC50: 10.1 μM). (TargetMol Bioactive Compound Library)
Compound Sets
4
DrugBank
DB07500
MedChem Express Bioactive Compound Library
HY-N1910
Selleckchem Bioactive Compound Library
4-o-methylbavachalcone
TargetMol Bioactive Compound Library
T3S0136
External IDs
19
Properties
(calculated by RDKit )
Molecular Weight
338.15
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
6
Ring Count
2
Aromatic Ring Count
2
cLogP
4.51
TPSA
66.76
Fraction CSP3
0.19
Chiral centers
0.0
Largest ring
6.0
QED
0.46
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
papain-like protease (PLpro)
SARS-CoV
Pathway
Anti-infection
Microbiology/virology
Source data