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name Structure Reference Source Properties Activities Metabolism

Quisqualate

AlkaPlorer ID: AK017101

Synonym: None

IUPAC Name: (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoate

Structure

SMILES: N[C@@H](CN1OC(=O)N=C1O)C(=O)[O-]

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InChI: InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/p-1/t2-/m0/s1

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InChIKey: ASNFTDCKZKHJSW-REOHCLBHSA-M

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Properties Information

Molecule Weight: 188.119

TPSA？: 134.41000000000005

MolLogP？: -3.3809

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 44668.4 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 89125.1 nM None
Electrophorus electricus Acetylcholinesterase Inhibition 23.15 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition 2.65 % 10.1016/j.bmc.2012.09.040
Escherichia coli K-12 Endonuclease 4 Potency 44668.4 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 8912.5 nM None
Homo sapiens Bloom syndrome protein Potency 2.8 nM None
Homo sapiens Cerebroside-sulfatase Potency 23934.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 31622.8 nM None
Homo sapiens Cystine/glutamate transporter IC50 5000.0 nM 10.1016/j.bmcl.2009.10.020
Homo sapiens Cytochrome P450 1A2 AC50 39810.72 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 1000.0 nM None
Homo sapiens Cytochrome P450 3A4 Potency 1000.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 35481.3 nM None
Homo sapiens DNA polymerase kappa Potency 1000.0 nM None
Homo sapiens Glutamate carboxypeptidase II IC50 9500.0 nM 10.1021/jm070133w
Homo sapiens HEK293 Potency 5623.4 nM None
Homo sapiens HEK293 Potency 32629.4 nM None
Homo sapiens Histone deacetylase 6 Inhibition 8.16 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 37.88 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 3981.1 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 10000.0 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 19952.6 nM None
Homo sapiens MAP kinase ERK2 Potency 12589.3 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 39810.7 nM None
Homo sapiens Metabotropic glutamate receptor 1 EC50 200.0 nM 10.1021/jm9601718
Homo sapiens Metabotropic glutamate receptor 1 Ki 1100.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 1 Ratio 0.045 None 10.1021/jm010323l
Homo sapiens Metabotropic glutamate receptor 2 EC50 1000000.0 nM 10.1021/jm00009a001
Homo sapiens Metabotropic glutamate receptor 2 Ki 113000.0 nM 10.1021/jm010323l
Homo sapiens Metabotropic glutamate receptor 2 Ki 1000000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 2 Ratio 108.0 None 10.1021/jm010323l
Homo sapiens Metabotropic glutamate receptor 3 Ki 40000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 4 EC50 500000.0 nM 10.1021/jm00009a001
Homo sapiens Metabotropic glutamate receptor 4 Ki 112000.0 nM 10.1021/jm010323l
Homo sapiens Metabotropic glutamate receptor 4 Ki 1000000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 4 Ratio 593.0 None 10.1021/jm010323l
Homo sapiens Metabotropic glutamate receptor 5 EC50 150.0 nM 10.1021/jm00009a001
Homo sapiens Metabotropic glutamate receptor 5 EC50 630.0 nM 10.1021/acs.jmedchem.8b00435
Homo sapiens Metabotropic glutamate receptor 5 Ki 55.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 6 Ki 1000000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 7 EC50 1000000.0 nM 10.1021/jm00009a001
Homo sapiens M-phase phosphoprotein 8 Potency 794.3 nM None
Homo sapiens Nuclear factor NF-kappa-B p105 subunit Potency 10.0 nM None
Homo sapiens Regulator of G-protein signaling 4 Potency 946.6 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 3.5 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 2993.5 nM None
Influenza A virus Nonstructural protein 1 Potency 5011.9 nM None
Mus musculus Glutamate receptor ionotropic, AMPA IC50 80.0 nM 10.1021/jm9706731
Mus musculus Metabotropic glutamate receptor 8 EC50 100000.0 nM 10.1021/jm00009a001
Rattus norvegicus Amino acid transporter Inhibition 25.0 % None
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm00103a010
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 1300.0 nM 10.1021/jm00103a010
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 7000.0 nM 10.1021/jm9806897
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 150.0 nM 10.1021/jm00103a010
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 169.82 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 171.0 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 131.83 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 134.0 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 3 Ki 1380.38 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 3 Ki 1670.0 nM 10.1021/jm800092x
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 200.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 700.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 750.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 2500.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 16400.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 ratio 0.02 None 10.1021/jm980571q
Rattus norvegicus Metabotropic glutamate receptor 1 Ki 10.0 nM 10.1021/jm010323l
Rattus norvegicus Metabotropic glutamate receptor 2 EC50 500000.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 2 EC50 1000000.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 2 EC50 ratio 90.0 None 10.1021/jm980571q
Rattus norvegicus Metabotropic glutamate receptor 3 EC50 40000.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 4 EC50 100000.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 4 EC50 129000.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 5 EC50 200.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 5 EC50 300.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 5 EC80 100.0 nM 10.1039/C4MD00208C
Rattus norvegicus Metabotropic glutamate receptor 6 EC50 1000000.0 nM 10.1021/jm00009a001
Rattus norvegicus Metabotropic glutamate receptor 7 EC50 1000000.0 nM 10.1021/jm00009a001
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 17.8 nM None
Rattus norvegicus Rattus norvegicus EC50 100.0 nM 10.1016/s0960-894x(97)10208-6
Rattus norvegicus Rattus norvegicus EC50 320.0 nM 10.1016/s0960-894x(97)10208-6
Rattus norvegicus Rattus norvegicus EC50 7300.0 nM 10.1021/jm9706731
Rattus norvegicus Rattus norvegicus Emax 240.0 % 10.1016/s0960-894x(97)10208-6
Rattus norvegicus Rattus norvegicus Emax 524.0 % 10.1016/s0960-894x(97)10208-6
Rattus norvegicus Rattus norvegicus IC50 2900.0 nM 10.1021/jm00102a014
Rattus norvegicus Rattus norvegicus IC50 3900.0 nM 10.1021/jm00102a014
Rattus norvegicus Rattus norvegicus IC50 40000.0 nM 10.1021/jm9806897
Rattus norvegicus Rattus norvegicus IC50 1900000.0 nM 10.1021/jm9806897
Rattus norvegicus Rattus norvegicus IC50 10000000.0 nM 10.1021/jm9806897
Rattus norvegicus Rattus norvegicus Sensitisation 1.3 None 10.1021/jm00102a014
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 707.9 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 1000.0 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 4744.4 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 5.012 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 12.76 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.11 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.05 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 5.52 % 10.21203/rs.3.rs-23951/v1
None No relevant target pKa 4.2 None 10.1021/jm00119a001
None Unchecked Activity 104.0 % 10.1021/jm00112a012
None Unchecked EC50 900.0 nM 10.1021/jm990182b
None Unchecked EC50 100000.0 nM 10.1021/jm990182b
None Unchecked IC50 25.0 nM 10.1021/jm9706731
None Unchecked IC50 40.0 nM 10.1021/jm00049a013
None Unchecked IC50 480.0 nM 10.1021/jm00119a001
None Unchecked IC50 1900.0 nM 10.1021/jm00049a013
None Unchecked IC50 4000.0 nM 10.1021/jm00049a013
None Unchecked IC50 7000.0 nM 10.1021/jm00049a013
None Unchecked IC50 10000.0 nM 10.1021/jm00049a013
None Unchecked IC50 26000.0 nM 10.1021/jm00049a013
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Potency 11.2 nM None
None Unchecked Potency 2511.9 nM None
None Unchecked Potency 5623.4 nM None
None Unchecked Potency 6309.6 nM None

Metabolism Information