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name Structure Reference Source Properties Activities Metabolism

(3R)-piperidine-3-carboxylate

AlkaPlorer ID: AK033546

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

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

Structure

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

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InChI: InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)/t5-/m1/s1

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InChIKey: XJLSEXAGTJCILF-RXMQYKEDSA-N

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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 2310000.0 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 5900.0 nM 10.1016/j.bmc.2013.06.063
Homo sapiens GABA transporter 1 IC50 5900.0 nM 10.1021/jm00041a012
Homo sapiens GABA transporter 1 IC50 5960.0 nM 10.1016/j.bmc.2019.02.015
Homo sapiens GABA transporter 1 IC50 81500.0 nM 10.1016/j.bmcl.2005.09.004
Homo sapiens GABA transporter 3 IC50 51000.0 nM 10.1016/j.bmc.2013.06.063
Homo sapiens GABA transporter 3 IC50 51000.0 nM 10.1021/jm00041a012
Mus musculus GABA transporter 1 IC50 6456.54 nM 10.1021/acs.jmedchem.8b00629
Mus musculus GABA transporter 1 IC50 8511.38 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 1 IC50 8511.38 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 1 IC50 25000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 1 IC50 456000.0 nM 10.1016/j.bmcl.2007.04.010
Mus musculus GABA transporter 1 IC50 40738027.78 nM 10.1021/jm301872x
Mus musculus GABA transporter 2 IC50 4000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 2 IC50 10000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 2 IC50 524807.46 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 2 IC50 524807.46 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 2 IC50 1000000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 2 IC50 100000000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 2 IC50 245470891.57 nM 10.1021/jm301872x
Mus musculus GABA transporter 3 IC50 19498.45 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 3 IC50 19498.45 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 3 IC50 114000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 3 IC50 8709635.9 nM 10.1021/jm301872x
Mus musculus GABA transporter 4 IC50 16218.1 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 4 IC50 16218.1 nM 10.1016/j.ejmech.2013.04.063
Mus musculus GABA transporter 4 IC50 93000.0 nM 10.1021/jm301872x
Mus musculus GABA transporter 4 IC50 10715193.05 nM 10.1021/jm301872x
Mus musculus Mus musculus IC50 12000.0 nM 10.1021/jm9904452
Mus musculus Mus musculus IC50 16000.0 nM 10.1021/jm9904452
Rattus norvegicus GABA transporter 1 IC50 1880.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1900.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1940.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1950.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1970.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2000.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2140.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2560.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2600.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2630.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2690.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2740.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2780.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2860.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 2 IC50 19000.0 nM 10.1021/jm00041a012
Rattus norvegicus Rattus norvegicus IC50 1690.0 nM 10.1021/jm50001a020
Rattus norvegicus Rattus norvegicus IC50 5000.0 nM 10.1021/jm9904452
Rattus norvegicus Rattus norvegicus IC50 5200.0 nM 10.1021/jm00100a032
Rattus norvegicus Rattus norvegicus IC50 8000.0 nM 10.1021/jm00100a032
None Unchecked IC50 2150.0 nM 10.1016/j.ejmech.2010.02.029
None Unchecked IC50 18500.0 nM 10.1016/j.ejmech.2010.02.029

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT017206 NC(=O)[C@@H]1CCCNC1>>O=C(O)[C@@H]1CCCNC1 RXN-14173