General
Preferred name
ISONIPECOTIC ACID
Synonyms
4-Piperidinecarboxylic acid ()
Hexahydroisonicotinic acid ()
4-Carboxypiperidine ()
4-Piperidinecarboxylic acid, 4-Carboxypiperidine, Hexahydroisonicotinic acid ()
P&D ID
PD015076
CAS
498-94-2
Tags
available
drug candidate
Drug indication
Discovery agent
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 Isonipecotic acid is a GABAA receptor partial agonist[1].
PRICE 29
DESCRIPTION Isonipecotic acid is a GABA receptor ligand. (Enamine Bioactive Compounds)
DESCRIPTION GABA-A receptor agonist (LOPAC library)
DESCRIPTION Isonipecotic acid is a GABAA receptor partial agonist. (BOC Sciences Bioactive Compounds)
DESCRIPTION Isonipecotic acid (4-Piperidinecarboxylic acid) is a heterocyclic compound. Isonipecotic acid mainly characterized as a GABAA receptor partial agonist. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
12
BOC Sciences Bioactive Compounds
isonipecotic-acid-cas-498-94-2-291201
Concise Guide to Pharmacology 2017/18
4227
Concise Guide to Pharmacology 2019/20
4227
Concise Guide to Pharmacology 2021/22
4227
Concise Guide to Pharmacology 2023/24
4227
DrugMAP
DMO1ZHE
Enamine Bioactive Compounds
EBC-04022
Guide to Pharmacology
4227
LOPAC library
MedChem Express Bioactive Compound Library
HY-Y1176
Selleckchem Bioactive Compound Library
isonipecotic-acid
TargetMol Bioactive Compound Library
T22348
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
129.08
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
1
Ring Count
1
Aromatic Ring Count
0
cLogP
0.07
TPSA
49.33
Fraction CSP3
0.83
Chiral centers
0.0
Largest ring
6.0
QED
0.53
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Selectivity
GABA-A
Target
GABAA
GABA Receptor
Pathway
Membrane Transporter/Ion Channel
Neuroscience
Neuronal Signaling
Solubility
Soluble in Water
Source data