2-Amino-4,5-dihydro-1H-imidazole-4-acetic acid; (R)-form 

AlkaPlorer ID: AK285043

Synonym: None

IUPAC Name: 2-(2-amino-4,5-dihydro-1H-imidazol-5-yl)acetic acid

Structure

SMILES: N=C1NCC(CC(=O)O)N1

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InChI: InChI=1S/C5H9N3O2/c6-5-7-2-3(8-5)1-4(9)10/h3H,1-2H2,(H,9,10)(H3,6,7,8)

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InChIKey: FJESSDHMDUSARB-UHFFFAOYSA-N

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Reference

PubChem CID: 135887949

CAS: 69098-41-5

COCONUT: CNP0330382.1

Source

Species Genus Family Order Class Phylum Kingdom Domain
None Lonchocarpus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 143.14600000000002

TPSA: 85.21000000000001

MolLogP: -1.0427300000000006

Number of H-Donors: 4

Number of H-Acceptors: 2

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Betaine transporter IC50 3000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Betaine transporter IC50 3162.28 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Betaine transporter Inhibition 30.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 11000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 EC50 11220.18 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA-A receptor; alpha-1/beta-2/gamma-2 Rmax 81.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA receptor rho-1 subunit EC50 3800.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA receptor rho-1 subunit EC50 3890.45 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA receptor rho-1 subunit Rmax 64.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 1 IC50 96900.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 1 IC50 100000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 1 Inhibition 30.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 2 IC50 125892.54 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 2 IC50 132200.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 2 Inhibition 30.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 3 IC50 39810.72 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 3 IC50 43700.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens GABA transporter 3 Inhibition 30.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 EC50 14000.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 EC50 14125.38 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 Rmax 81.0 % 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 EC50 1548.82 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 EC50 1600.0 nM 10.1021/acs.jmedchem.9b00026
Homo sapiens Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 Rmax 90.0 % 10.1021/acs.jmedchem.9b00026
Rattus norvegicus GABA-A receptor; anion channel Ki 426.58 nM 10.1021/acs.jmedchem.9b00026
Rattus norvegicus GABA-A receptor; anion channel Ki 450.0 nM 10.1021/acs.jmedchem.9b00026
None No relevant target pKa 10.05 None 10.1021/acs.jmedchem.9b00026
None Unchecked EC50 11481.54 nM 10.1021/acs.jmedchem.9b00026
None Unchecked EC50 12000.0 nM 10.1021/acs.jmedchem.9b00026
None Unchecked Ratio IC50 14.0 None 10.1021/acs.jmedchem.9b00026
None Unchecked Rmax 105.0 % 10.1021/acs.jmedchem.9b00026

Metabolism Information