General
Preferred name
KYNURENINE
Synonyms
Dl-Kynurenine ()
3-Anthraniloylalanine ()
Kynurenin ()
2-Amino-4-(2-aminophenyl)-4-oxobutanoic acid ()
P&D ID
PD001537
CAS
343-65-7
2126-91-2
3039-10-9
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
MedChem Express Bioactive Compound Library
The Spectrum Collection
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
24
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
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
