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name Structure Reference Source Properties Activities Metabolism

1,2,5,6-Tetrahydro-3-pyridinecarboxylic acid

AlkaPlorer ID: AK015360

Synonym: Guvacine, Δ3-Tetrahydronicotinic acid 

IUPAC Name: 1,2,3,6-tetrahydropyridine-5-carboxylic acid

Structure

SMILES: O=C(O)C1=CCCNC1

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InChI: InChI=1S/C6H9NO2/c8-6(9)5-2-1-3-7-4-5/h2,7H,1,3-4H2,(H,8,9)

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InChIKey: QTDZOWFRBNTPQR-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 127.143

TPSA？: 49.33

MolLogP？: -0.0092999999999998

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 1870000.0 nM 10.1021/jm00041a012
Homo sapiens Cerebroside-sulfatase Potency 13.5 nM None
Homo sapiens Chromobox protein homolog 1 Potency 5972.8 nM None
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 Dopamine D1 receptor Potency 1458.0 nM None
Homo sapiens GABA transporter 1 IC50 14000.0 nM 10.1016/j.bmc.2019.02.015
Homo sapiens GABA transporter 1 IC50 14000.0 nM 10.1021/jm00041a012
Homo sapiens GABA transporter 2 IC50 66000.0 nM 10.1016/j.ejmech.2010.02.029
Homo sapiens GABA transporter 3 IC50 110000.0 nM 10.1016/j.ejmech.2010.02.029
Homo sapiens GABA transporter 3 IC50 119000.0 nM 10.1021/jm00041a012
Homo sapiens Histone deacetylase 6 Inhibition 9.28 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 9.62 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 891.3 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 39810.7 nM None
Mus musculus GABA transporter 1 IC50 12589.25 nM 10.1021/jm301800j
Mus musculus GABA transporter 1 IC50 13489.63 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 1 IC50 14000.0 nM 10.1021/jm301800j
Mus musculus GABA transporter 1 IC50 20900.0 nM 10.1016/j.bmcl.2015.11.100
Mus musculus GABA transporter 2 IC50 489778.82 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 2 IC50 1000000.0 nM 10.1016/j.bmcl.2015.11.100
Mus musculus GABA transporter 3 IC50 25703.96 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 3 IC50 72400.0 nM 10.1016/j.bmcl.2015.11.100
Mus musculus GABA transporter 4 IC50 25703.96 nM 10.1016/j.ejmech.2008.01.005
Mus musculus GABA transporter 4 IC50 114800.0 nM 10.1016/j.bmcl.2015.11.100
Mus musculus Mus musculus IC50 29000.0 nM 10.1021/jm9904452
Mus musculus Mus musculus IC50 32000.0 nM 10.1021/jm9904452
Rattus norvegicus GABA-A receptor; anion channel Inhibition 27.0 % 10.1021/jm50001a020
Rattus norvegicus GABA-A receptor; anion channel Inhibition nan % 10.1021/jm50001a020
Rattus norvegicus GABA transporter 1 IC50 1680.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1760.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1850.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1870.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 1910.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2260.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2560.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2590.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2650.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2660.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2770.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2790.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 1 IC50 2900.0 nM 10.1021/jm040809c
Rattus norvegicus GABA transporter 2 IC50 58000.0 nM 10.1021/jm00041a012
Rattus norvegicus Gamma-amino-N-butyrate transaminase Inhibition 7.0 % 10.1021/jm50001a020
Rattus norvegicus Glutamate decarboxylase 67 kDa isoform Inhibition 0.0 % 10.1021/jm50001a020
Rattus norvegicus Rattus norvegicus IC50 4920.0 nM 10.1021/jm50001a020
Rattus norvegicus Rattus norvegicus IC50 7300.0 nM 10.1021/jm00100a032
Rattus norvegicus Rattus norvegicus IC50 12000.0 nM 10.1021/jm9904452
Trypanosoma brucei 6-phospho-1-fructokinase Potency 37933.0 nM None
None Unchecked Anticonvulsant activity nan None 10.1016/s0960-894x(03)00535-3

Metabolism Information