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Ibotenic acid; (±)-form

AlkaPlorer ID: AK302260

Synonym: None

IUPAC Name: 2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid

Structure

SMILES: NC(C(=O)O)C1=CC(=O)NO1

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InChI: InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)

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InChIKey: IRJCBFDCFXCWGO-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 158.11299999999997

TPSA？: 109.32

MolLogP？: -0.9476999999999998

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 79432.8 nM None
Escherichia coli K-12 Beta-lactamase AmpC Potency 5011.9 nM None
Homo sapiens 786-0 GI50 100000.0 nM None
Homo sapiens A498 GI50 100000.0 nM None
Homo sapiens A549 GI50 100000.0 nM None
Homo sapiens ACHN GI50 100000.0 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 1122.0 nM None
Homo sapiens BT-549 GI50 42461.96 nM None
Homo sapiens CAKI-1 GI50 100000.0 nM None
Homo sapiens CCRF-CEM GI50 100000.0 nM None
Homo sapiens Cerebroside-sulfatase Potency 4775.5 nM None
Homo sapiens Chromobox protein homolog 1 Potency 89125.1 nM None
Homo sapiens COLO 205 GI50 100000.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 14125.4 nM None
Homo sapiens Dopamine D1 receptor Potency 25.9 nM None
Homo sapiens DU-145 GI50 100000.0 nM None
Homo sapiens EKVX GI50 100000.0 nM None
Homo sapiens HCC 2998 GI50 100000.0 nM None
Homo sapiens HCT-116 GI50 100000.0 nM None
Homo sapiens HCT-15 GI50 100000.0 nM None
Homo sapiens Histone deacetylase 6 Inhibition -6.81 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.08 % 10.6019/CHEMBL4808148
Homo sapiens HL-60 GI50 59979.11 nM None
Homo sapiens HOP-62 GI50 100000.0 nM None
Homo sapiens HOP-92 GI50 100000.0 nM None
Homo sapiens Hs-578T GI50 100000.0 nM None
Homo sapiens HT-29 GI50 100000.0 nM None
Homo sapiens IGROV-1 GI50 100000.0 nM None
Homo sapiens K562 GI50 100000.0 nM None
Homo sapiens KM12 GI50 100000.0 nM None
Homo sapiens LOX IMVI GI50 100000.0 nM None
Homo sapiens M14 GI50 100000.0 nM None
Homo sapiens Malme-3M GI50 100000.0 nM None
Homo sapiens MCF7 GI50 100000.0 nM None
Homo sapiens MDA-MB-231 GI50 100000.0 nM None
Homo sapiens MDA-MB-435 GI50 100000.0 nM None
Homo sapiens MDA-N GI50 100000.0 nM None
Homo sapiens Metabotropic glutamate receptor 1 Ki 43000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 2 EC50 110000.0 nM 10.1016/s0960-894x(98)00264-9
Homo sapiens Metabotropic glutamate receptor 2 Ki 110000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 4 EC50 1000000.0 nM 10.1016/s0960-894x(98)00264-9
Homo sapiens Metabotropic glutamate receptor 4 Ki 1000000.0 nM 10.1021/jm000007r
Homo sapiens Metabotropic glutamate receptor 5 Ki 17000.0 nM 10.1021/jm000007r
Homo sapiens MOLT-4 GI50 100000.0 nM None
Homo sapiens NCI/ADR-RES GI50 100000.0 nM None
Homo sapiens NCI-H226 GI50 100000.0 nM None
Homo sapiens NCI-H23 GI50 100000.0 nM None
Homo sapiens NCI-H322M GI50 100000.0 nM None
Homo sapiens NCI-H460 GI50 100000.0 nM None
Homo sapiens NCI-H522 GI50 100000.0 nM None
Homo sapiens OVCAR-3 GI50 100000.0 nM None
Homo sapiens OVCAR-4 GI50 100000.0 nM None
Homo sapiens OVCAR-5 GI50 100000.0 nM None
Homo sapiens OVCAR-8 GI50 100000.0 nM None
Homo sapiens PC-3 GI50 100000.0 nM None
Homo sapiens Prelamin-A/C Potency 6309.6 nM None
Homo sapiens RPMI-8226 GI50 100000.0 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 7079.5 nM None
Homo sapiens RXF 393 GI50 100000.0 nM None
Homo sapiens SF-268 GI50 100000.0 nM None
Homo sapiens SF-295 GI50 100000.0 nM None
Homo sapiens SF-539 GI50 100000.0 nM None
Homo sapiens SK-MEL-2 GI50 100000.0 nM None
Homo sapiens SK-MEL-28 GI50 100000.0 nM None
Homo sapiens SK-MEL-5 GI50 100000.0 nM None
Homo sapiens SK-OV-3 GI50 100000.0 nM None
Homo sapiens SN12C GI50 100000.0 nM None
Homo sapiens SNB-19 GI50 100000.0 nM None
Homo sapiens SNB-75 GI50 100000.0 nM None
Homo sapiens SR GI50 100000.0 nM None
Homo sapiens SW-620 GI50 100000.0 nM None
Homo sapiens T47D GI50 100000.0 nM None
Homo sapiens TK-10 GI50 100000.0 nM None
Homo sapiens U-251 GI50 100000.0 nM None
Homo sapiens UACC-257 GI50 100000.0 nM None
Homo sapiens UACC-62 GI50 100000.0 nM None
Homo sapiens UO-31 GI50 100000.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 1311.5 nM None
Rattus norvegicus Glutamate NMDA receptor IC50 10000.0 nM 10.1021/jm00086a004
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm950393q
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 76000.0 nM 10.1021/jm950393q
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 100000.0 nM 10.1021/jm950393q
Rattus norvegicus Metabotropic glutamate receptor 1 EC50 43000.0 nM 10.1016/s0960-894x(98)00264-9
Rattus norvegicus Rattus norvegicus EC50 9600.0 nM 10.1016/s0960-894x(98)00264-9
Rattus norvegicus Rattus norvegicus ED50 3.8 uM 10.1021/jm950393q
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 23.26 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.25 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 2.92 % 10.21203/rs.3.rs-23951/v1
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Potency 20587.8 nM None
None Unchecked Potency 39810.7 nM None

Metabolism Information