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name Structure Reference Source Properties Activities Metabolism

(2S,4R)-2-amino-4-methylpentanedioic acid

AlkaPlorer ID: AK103877

Synonym: None

IUPAC Name: (2S,4R)-2-amino-4-methylpentanedioic acid

Structure

SMILES: C[C@H](C[C@H](N)C(=O)O)C(=O)O

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InChI: InChI=1S/C6H11NO4/c1-3(5(8)9)2-4(7)6(10)11/h3-4H,2,7H2,1H3,(H,8,9)(H,10,11)/t3-,4+/m1/s1

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InChIKey: KRKRAOXTGDJWNI-DMTCNVIQSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Lathyrus japonicus Lathyrus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 161.15699999999998

TPSA？: 100.62000000000002

MolLogP？: -0.490899999999999

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 1A2 AC50 31622.78 nM 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 Excitatory amino acid transporter 1 Km 13000.0 nM 10.1021/jm050597z
Homo sapiens Excitatory amino acid transporter 1 pKm 4.92 None 10.1021/jm050597z
Homo sapiens Excitatory amino acid transporter 2 Ki 11748.98 nM 10.1021/jm050597z
Homo sapiens Excitatory amino acid transporter 2 Ki 13000.0 nM 10.1021/jm050597z
Homo sapiens Excitatory amino acid transporter 3 Ki 5370.32 nM 10.1021/jm050597z
Homo sapiens Excitatory amino acid transporter 3 Ki 6600.0 nM 10.1021/jm050597z
Homo sapiens Fibroblast Growth Rate -0.67 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.42 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.66 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.92 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.97 None 10.6019/CHEMBL5303304
Homo sapiens Glutamate receptor ionotropic kainate 1 Ki 3.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 2 Ki 10.0 nM 10.1021/jm9911682
Homo sapiens HEK-293T Growth Rate 0.9 None 10.6019/CHEMBL5303304
Homo sapiens Histone deacetylase 6 Inhibition -40.16 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 2.11 % 10.6019/CHEMBL4808148
Homo sapiens Metabotropic glutamate receptor 6 IC50 4000.0 nM 10.1016/j.ejmech.2009.09.025
Homo sapiens U2OS Growth Rate 0.65 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.82 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.89 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.94 None 10.6019/CHEMBL5303304
Rattus norvegicus Glutamate NMDA receptor IC50 7.0 nM 10.1016/0960-894X(95)00335-Q
Rattus norvegicus Glutamate [NMDA] receptor subunit epsilon 3 IC50 7000.0 nM 10.1021/jm00014a002
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 7.0 nM 10.1016/0960-894X(95)00335-Q
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 IC50 100000.0 nM 10.1021/jm00014a002
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 35.0 nM 10.1016/0960-894X(95)00335-Q
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 35.0 nM 10.1021/jm00014a002
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 0.6607 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 0.663 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 14.79 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 17.0 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 3 Ki 4.677 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 3 Ki 5.69 nM 10.1021/jm800092x
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 ratio 4.6 None 10.1021/jm980571q
Rattus norvegicus Metabotropic glutamate receptor 2 EC50 ratio 23.0 None 10.1021/jm980571q
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 18.64 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -2.41 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.06 % 10.6019/CHEMBL4495565
None Unchecked EC50 558.0 nM 10.1021/jm2004078
None Unchecked EC50 1550.0 nM 10.1021/jm2004078
None Unchecked EC50 45100.0 nM 10.1021/jm2004078
None Unchecked Efficacy 0.718 None 10.1021/jm2004078
None Unchecked Efficacy 0.87 None 10.1021/jm2004078
None Unchecked Efficacy 0.991 None 10.1021/jm2004078
None Unchecked Ratio 3.3 None 10.1021/jm9911682

Metabolism Information