General
Preferred name
Indole-3-pyruvic acid
Synonyms
3-(3-Indolyl)-2-oxopropanoic acid ()
Enol-3-IPA ()
P&D ID
PD062733
CAS
392-12-1
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
4
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
ReFrame library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
45
Properties
(calculated by RDKit )
Molecular Weight
203.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
2
Aromatic Ring Count
2
cLogP
1.36
TPSA
70.16
Fraction CSP3
0.09
Chiral centers
0.0
Largest ring
6.0
QED
0.74
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Immunology/Inflammation
Metabolic Enzyme/Protease
Target
Aryl hydrocarbon receptor
Endogenous Metabolite
Source data
