Navigation

name Structure Reference Source Properties Activities Metabolism

(3S)-piperidin-1-ium-3-carboxylate

AlkaPlorer ID: AK033545

Synonym: 'MLS000069598', 'NIPECOTIC ACID', 'SMR000059031'

IUPAC Name: (3S)-piperidine-3-carboxylic acid

Structure

SMILES: O=C(O)[C@H]1CCCNC1

copy

InChI: InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1

copy

InChIKey: XJLSEXAGTJCILF-YFKPBYRVSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 129.15900000000002

TPSA？: 49.33

MolLogP？: 0.0706

Number of H-Donors: 2

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Betaine transporter IC50 6410000.0 nM 10.1021/jm00041a012
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens GABA transporter 1 IC50 116000.0 nM 10.1016/j.bmc.2013.06.063
Homo sapiens GABA transporter 1 IC50 116000.0 nM 10.1016/j.bmc.2019.02.015
Homo sapiens GABA transporter 1 IC50 116000.0 nM 10.1021/jm00041a012
Homo sapiens GABA transporter 3 IC50 2320000.0 nM 10.1016/j.bmc.2013.06.063
Homo sapiens GABA transporter 3 IC50 2320000.0 nM 10.1021/jm00041a012
Homo sapiens Thyroid stimulating hormone receptor Potency 125.9 nM None
Mus musculus GABA transporter 1 IC50 74131.02 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 1 IC50 74131.02 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 2 IC50 758577.58 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 2 IC50 758577.58 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 3 IC50 194984.46 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 3 IC50 194984.46 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 4 IC50 309029.54 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 4 IC50 309029.54 nM 10.1016/j.ejmech.2013.04.063
Rattus norvegicus GABA transporter 1 IC50 1770.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1830.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2100.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2210.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2450.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2490.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2660.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2730.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2780.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2950.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2970.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 4140.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 4960.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 2 IC50 763000.0 nM 10.1021/jm00041a012
Rattus norvegicus Rattus norvegicus IC50 9880.0 nM 10.1021/jm50001a020
Rattus norvegicus Rattus norvegicus IC50 55000.0 nM 10.1021/jm00100a032
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
None Unchecked IC50 32600.0 nM 10.1016/j.ejmech.2010.02.029
None Unchecked IC50 218000.0 nM 10.1016/j.ejmech.2010.02.029

Metabolism Information