General
Preferred name
KYNURENINE
Synonyms
(S)-Kynurenine ()
L-Kynurenine ()
L-Kynurenine-d4 ()
P&D ID
PD008579
CAS
2922-83-0
2672568-86-2
Tags
available
drug candidate
Drug Status
experimental
investigational
Max Phase
1.0
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 High affinity PPARgamma ligand; blocks Cdk5-dependent PPARgamma phosphorylation (Tocris Bioactive Compound Library)
Compound Sets
8
Cayman Chemical Bioactives
11305
36307
ChEMBL Drugs
CHEMBL498416
Drug Repurposing Hub
DrugBank
DB02070
MedChem Express Bioactive Compound Library
HY-104026
Selleckchem Bioactive Compound Library
l-kynurenine
TargetMol Bioactive Compound Library
T4928
Tocris Bioactive Compound Library
4393
External IDs
39
Properties
(calculated by RDKit )
Molecular Weight
208.08
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
0.25
TPSA
106.41
Fraction CSP3
0.2
Chiral centers
1.0
Largest ring
6.0
QED
0.49
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
Human Endogenous Metabolite
AHR
Aryl hydrocarbon receptor
Primary Target
Aryl Hydrocarbon Receptors
MOA
Endogenous Metabolite
AhR
Ligand
aryl hydrocarbon receptor agonist
Source data