General
Preferred name
QUINALDIC ACID
Synonyms
RARECHEM AL BO 1348 ()
Quinoline-2-carboxylic acid ()
2-Quinolinecarboxylic acid ()
P&D ID
PD008340
CAS
93-10-7
Tags
available
drug candidate
Drug Status
experimental
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 Quinoline-2-carboxylic acid is an endogenous metabolite.
PRICE 29
DESCRIPTION 2-Quinolinecarboxylic acid is an endogenous metabolite. It inhibits atp-binding cassette sub-family g member 2, IC50 = 130 nM. (Enamine Bioactive Compounds)
DESCRIPTION Quinaldic acid is an endogenous metabolite.Quinaldic acid is a metal chelator. (TargetMol Bioactive Compound Library)
Compound Sets
5
DrugBank
Enamine Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
External IDs
31
Properties
(calculated by RDKit )
Molecular Weight
173.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
2
cLogP
1.93
TPSA
50.19
Fraction CSP3
0.0
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
Amylases
Glycosidase
Pathway
Metabolism
Metabolic Enzyme/Protease
Source data