General
Preferred name
ATRANORIN
Synonyms
ATRANORIC ACID ()
NSC-685591 ()
P&D ID
PD002237
CAS
479-20-9
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Cell lines
1
Organisms
0
Compound Sets
5
Cayman Chemical Bioactives
28106
DrugMatrix
MedChem Express Bioactive Compound Library
HY-N2907
ReFrame library
TargetMol Bioactive Compound Library
TN1413
External IDs
24
Properties
(calculated by RDKit )
Molecular Weight
374.1
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
2
Aromatic Ring Count
2
cLogP
2.55
TPSA
130.36
Fraction CSP3
0.21
Chiral centers
0.0
Largest ring
6.0
QED
0.42
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolism
GPCR/G protein
MAPK/ERK Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
NO Synthase
Ras
Source data