General
Preferred name
homonicotinic acid
Synonyms
3-pyridine-acetic acid ()
3-Pyridylacetic acid (hydrochloride) ()
3-Pyridineacetic acid ()
3-Pyridylacetic acid hydrochloride ()
P&D ID
PD048464
CAS
501-81-5
6419-36-9
Tags
available
drug
Drug indication
Discovery agent
Drug Status
approved
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 3-Pyridineacetic acid is a higher homologue of nicotinic acid, a breakdown product of nicotine (and other tobacco alkaloids)[1][2].
DESCRIPTION 3-Pyridineacetic acid hydrochloride is a higher homologue of nicotinic acid, a breakdown product of nicotine (and other tobacco alkaloids)[1][2].
PRICE 29
DESCRIPTION 3-Pyridineacetic acid binds to nicotinic acetylcholine receptors with Ki=0.403µM, it shows binding affinity to hydroxycarboxylic acid receptor 2 ( GPR109A) (Ki= 403 nM) and hydroxycarboxylic acid receptor 3 (GPR109B) with (Ki= 553 nM). (Enamine Bioactive Compounds)
DESCRIPTION 3-Pyridylacetic acid hydrochloride (3-PAA-HCl) is a high homologue of niacin. It is a decomposition product of nicotine (and other tobacco alkaloids). It can also react with amines, alcohols and carboxylic acids, and can also act as an acid in the reaction. catalyst. (TargetMol Bioactive Compound Library)
Compound Sets
8
DrugCentral
3505
DrugCentral Approved Drugs
3505
DrugMAP
DMAGXMJ
Enamine Bioactive Compounds
EBC-44192
Guide to Pharmacology
1590
MedChem Express Bioactive Compound Library
HY-W015806
HY-W004515
Selleckchem Bioactive Compound Library
3-pyridineacetic-acid
TargetMol Bioactive Compound Library
T1366
External IDs
36
Properties
(calculated by RDKit )
Molecular Weight
137.05
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
1
Rotatable Bonds
2
Ring Count
1
Aromatic Ring Count
1
cLogP
0.71
TPSA
50.19
Fraction CSP3
0.14
Chiral centers
0.0
Largest ring
6.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
DPP-4
Endogenous Metabolite
Pathway
Proteases/Proteasome
Metabolic Enzyme/Protease
Source data