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1,2,3,6-Tetrahydro-4-pyridinecarboxylic acid

AlkaPlorer ID: AK010611

Synonym: Isoguvacine

IUPAC Name: 1,2,3,6-tetrahydropyridine-4-carboxylic acid

Structure

SMILES: O=C(O)C1=CCNCC1

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InChI: InChI=1S/C6H9NO2/c8-6(9)5-1-3-7-4-2-5/h1,7H,2-4H2,(H,8,9)

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InChIKey: KRVDMABBKYMBHG-UHFFFAOYSA-N

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Reference

PubChem CID: 7059534

CAS: 64603-90-3

SuperNatural Ⅲ: SN0193709

NPASS: NPC7392

COCONUT: CNP0216340

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 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 DNA-(apurinic or apyrimidinic site) lyase Potency 891.3 nM None
Homo sapiens Dopamine D1 receptor Potency 819.9 nM None
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 11000.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 11220.18 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; alpha-1/beta-3/gamma-2 EC50 160000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-1/beta-3/gamma-2 Max 88.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 EC50 4466.84 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 EC50 4500.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-2/beta-2/gamma-2 Rmax 95.0 % 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; alpha-2/beta-3/gamma-2 EC50 50000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-2/beta-3/gamma-2 Max 88.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 EC50 5600.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 EC50 5623.41 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA A receptor alpha-3/beta-2/gamma-2 Rmax 91.0 % 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; alpha-3/beta-3/gamma-2 EC50 55000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-3/beta-3/gamma-2 Max 69.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-4/beta-3/gamma-2 EC50 180000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA A receptor alpha-4/beta-3/gamma-2 Max 88.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-5/beta-3/gamma-2 EC50 75000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-5/beta-3/gamma-2 Max 94.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-6/beta-3/gamma-2 EC50 20000.0 nM 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; alpha-6/beta-3/gamma-2 Max 98.0 None 10.1016/s0960-894x(01)00184-6
Homo sapiens GABA-A receptor; anion channel EC50 310000.0 nM 10.1016/0960-894X(96)00364-2
Homo sapiens GABA-A receptor; anion channel Ki 54.95 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-A receptor; anion channel Ki 55.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA-B receptor Activity nan None 10.1016/0960-894X(96)00364-2
Homo sapiens GABA-C receptor Kb 99000.0 nM 10.1016/0960-894X(96)00364-2
Homo sapiens GABA receptor rho-1 subunit EC50 38904.51 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA receptor rho-1 subunit EC50 39000.0 nM 10.1016/j.ejmech.2014.07.039
Homo sapiens GABA receptor rho-1 subunit Rmax 85.0 % 10.1016/j.ejmech.2014.07.039
Homo sapiens Histone acetyltransferase GCN5 Potency 39810.7 nM None
Homo sapiens Histone deacetylase 6 Inhibition 1.67 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 5.63 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 21192.3 nM None
Homo sapiens Proton-coupled amino acid transporter 1 Ki 5800000.0 nM 10.1016/j.bmc.2011.08.058
Homo sapiens Proton-coupled amino acid transporter 1 pKi -0.76 mM 10.1016/j.bmc.2011.08.058
Homo sapiens Regulator of G-protein signaling 4 Potency 23755.5 nM None
Homo sapiens Thyroid stimulating hormone receptor Potency 25118.9 nM None
Homo sapiens Tumor susceptibility gene 101 protein Potency 89125.1 nM None
Rattus norvegicus GABA-A receptor; anion channel Activity 156.0 % 10.1016/S0960-894X(01)81035-0
Rattus norvegicus GABA-A receptor; anion channel EC50 3100.0 nM 10.1016/S0960-894X(01)81035-0
Rattus norvegicus GABA-A receptor; anion channel IC50 22.0 nM 10.1021/jm00017a014
Rattus norvegicus GABA-A receptor; anion channel IC50 490.0 nM 10.1016/S0960-894X(01)81035-0
Rattus norvegicus GABA B receptor IC50 100000.0 nM 10.1021/jm00017a014
Rattus norvegicus Rattus norvegicus EC50 13000.0 nM 10.1016/S0960-894X(01)81035-0
Rattus norvegicus Rattus norvegicus IC50 300000.0 nM 10.1021/jm00017a014
Saccharomyces cerevisiae Saccharomyces cerevisiae Potency 32642.7 nM None
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
Trypanosoma brucei 6-phospho-1-fructokinase Potency 23934.1 nM None
None No relevant target pKa 3.6 None 10.1021/jm00017a014
None No relevant target pKa 9.8 None 10.1021/jm00017a014
None Unchecked EC50 780.0 nM 10.1016/j.ejmech.2014.07.039
None Unchecked EC50 794.33 nM 10.1016/j.ejmech.2014.07.039
None Unchecked EC50 67000.0 nM 10.1021/jm070447j
None Unchecked EC50 15848931924611.11 nM 10.1021/jm070447j
None Unchecked Potency 23099.9 nM None
None Unchecked Potency 31622.8 nM None
None Unchecked Reverse potential 5.2 None 10.1021/jm00017a014
None Unchecked Rmax 101.0 % 10.1016/j.ejmech.2014.07.039
None Unchecked RUmax 97.0 % 10.1021/jm070447j

Metabolism Information