General
Preferred name
PD057176
Synonyms
3',4',7-Trihydroxyisoflavone ()
7,3',4'-Trihydroxyisoflavone ()
Orita-13 ()
3',4',7-Trihydroxyisoflavone ()
P&D ID
PD057176
CAS
485-63-2
Tags
natural product
drug candidate
nuisance
available
Drug indication
Discovery agent
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 Orita-13 is a prototypical inhibitor of the tautomerase activity of (MIF) . (GtoPdb)
Cell lines
1
Organisms
1
Compound Sets
7
Cayman Chemical Bioactives
20930
DrugMAP
DM5JV8G
EU-OPENSCREEN Bioactive Compound Library
EOS102374
Guide to Pharmacology
9985
MedChem Express Bioactive Compound Library
HY-124953
Novartis Chemogenetic Library (NIBR MoA Box)
Nuisance compounds in cellular assays
External IDs
33
Properties
(calculated by RDKit )
Molecular Weight
270.05
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
3
Aromatic Ring Count
3
cLogP
2.58
TPSA
90.9
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.59
Structural alerts
1
Nonspecific/NOS
Flavonoid
Nuisance compounds in cellular assays
Custom attributes
(extracted from source data)
Member status
member
MOA
Macrophage Migration Inhibitory Factor (MIF) Inhibitors
Tyrosinase Inhibitors
Melanin Inhibitors
Pathway
Apoptosis
MAPK/ERK Pathway
Target
MAP3K
Source data