Navigation

name Structure Reference Source Properties Activities Metabolism

Kainic Acid

AlkaPlorer ID: AK010343

Synonym: None

IUPAC Name: (2S,3S,4S)-3-(carboxymethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylic acid

Structure

SMILES: C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O

copy

InChI: InChI=1S/C10H15NO4/c1-5(2)7-4-11-9(10(14)15)6(7)3-8(12)13/h6-7,9,11H,1,3-4H2,2H3,(H,12,13)(H,14,15)/t6-,7+,9-/m0/s1

copy

InChIKey: VLSMHEGGTFMBBZ-OOZYFLPDSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Coriolopsis gallica Coriolopsis Polyporaceae Polyporales Agaricomycetes Basidiomycota Fungi Eukaryota
Corydalis tashiroi Corydalis Papaveraceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Nezara viridula Nezara Pentatomidae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Guizotia scabra Guizotia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Polysiphonia nigra Polysiphonia Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Arum palaestinum Arum Araceae Alismatales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Digenea simplex Digenea Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Raoulia australis Raoulia Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Euphorbia cuneata Euphorbia Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Prunus speciosa Prunus Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Mikania cordifolia Mikania Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Terminalia brachystemma Terminalia Combretaceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Hakea trifurcata Hakea Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Anacyclus monanthos Anacyclus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Caloglossa leprieurii Caloglossa Delesseriaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Otholobium glandulosum Otholobium Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chondria armata Chondria Rhodomelaceae Ceramiales Florideophyceae Rhodophyta None Eukaryota
Abrus pulchellus Abrus Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 213.233

TPSA？: 86.63000000000001

MolLogP？: 0.3259999999999995

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 12589.3 nM None
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 39810.7 nM None
Electrophorus electricus Acetylcholinesterase Inhibition -5.89 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition 4.53 % 10.1016/j.bmc.2012.09.040
Equus caballus Ferritin light chain Potency 12589.3 nM None
Escherichia coli K-12 Endonuclease 4 Potency 15848.9 nM None
Homo sapiens 15-hydroxyprostaglandin dehydrogenase [NAD+] Potency 15848.9 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 19952.6 nM None
Homo sapiens Bloom syndrome protein Potency 125.9 nM None
Homo sapiens Chromobox protein homolog 1 Potency 14125.4 nM None
Homo sapiens DNA polymerase kappa Potency 39810.7 nM None
Homo sapiens Fibroblast Growth Rate -0.12 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.16 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.61 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.63 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.76 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.79 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.8 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.83 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.92 None 10.6019/CHEMBL5303304
Homo sapiens Geminin Potency 730.8 nM None
Homo sapiens Glutamate receptor AMPA 1/2 EC50 57500.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 1 EC50 7510.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 1 EC50 60000.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 1 EC50 73000.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 1 Ki 7449.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic, AMPA 1 Ki 7450.0 nM 10.1021/jm9702387
Homo sapiens Glutamate receptor ionotropic, AMPA 1 Ki 7500.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic, AMPA 2 EC50 10570.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 2 Ki 12200.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic, AMPA 2 Ki 12200.0 nM 10.1021/jm9702387
Homo sapiens Glutamate receptor ionotropic, AMPA 2 Ki 12221.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic, AMPA 3 EC50 26610.0 nM 10.1016/j.bmc.2009.12.072
Homo sapiens Glutamate receptor ionotropic, AMPA 4 Ki 1710.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic, AMPA 4 Ki 1710.0 nM 10.1021/jm9702387
Homo sapiens Glutamate receptor ionotropic, AMPA 4 Ki 1714.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate IC50 77.0 nM 10.1021/jm058018d
Homo sapiens Glutamate receptor ionotropic kainate 1 EC50 16200.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 1 EC50 16200.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 1 Ki 177.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 1 Ki 177.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 1 Rmax 100.0 % 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 1 Rmax 100.0 % 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 2 EC50 700.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 2 EC50 700.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 2 Ki 32.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 2 Ki 32.4 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 2 Ki 53.0 nM 10.1021/jm960155a
Homo sapiens Glutamate receptor ionotropic kainate 2 Response 39.0 % 10.1021/jm960155a
Homo sapiens Glutamate receptor ionotropic kainate 2 Response 85.0 % 10.1021/jm960155a
Homo sapiens Glutamate receptor ionotropic kainate 2 Response 101.0 % 10.1021/jm960155a
Homo sapiens Glutamate receptor ionotropic kainate 2 Rmax 100.0 % 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 2 Rmax 100.0 % 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 3 Ki 10.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 3 Ki 10.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 5 Ki 8.0 nM 10.1021/jm9911682
Homo sapiens Glutamate receptor ionotropic kainate 5 Ki 80.0 nM 10.1016/s0960-894x(00)00346-2
Homo sapiens Glutamate receptor ionotropic kainate 5 Ki 177.0 nM 10.1021/jm9702387
Homo sapiens HEK-293T Growth Rate 0.52 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.6 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.62 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.8 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.99 None 10.6019/CHEMBL5303304
Homo sapiens Histone acetyltransferase GCN5 Potency 31622.8 nM None
Homo sapiens Histone deacetylase 6 Inhibition -21.74 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.35 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 11220.2 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 31622.8 nM None
Homo sapiens Isocitrate dehydrogenase [NADP] cytoplasmic Potency 29092.9 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 39810.7 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 17782.8 nM None
Homo sapiens Metabotropic glutamate receptor 5 EC50 33600.0 nM 10.1016/j.ejmech.2009.09.025
Homo sapiens Metabotropic glutamate receptor 6 EC50 299000.0 nM 10.1016/j.ejmech.2009.09.025
Homo sapiens Prelamin-A/C Potency 631.0 nM None
Homo sapiens Prelamin-A/C Potency 5011.9 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 106.3 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 103.1 % 10.1124/mol.112.084152
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 7499.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 21136.0 nM None
Homo sapiens U2OS Growth Rate -0.65 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.42 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.9 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.98 None 10.6019/CHEMBL5303304
Mus musculus Mus musculus CD50 0.015 nM 10.1021/jm9803020
Mus musculus Mus musculus CD50 0.015 nM mouse-1 10.1021/jm991081g
Mus musculus Mus musculus CD50 0.024 nM 10.1021/jm9803020
Mus musculus Mus musculus CD50 0.032 nM 10.1021/jm9803020
Mus musculus Mus musculus CD50 0.032 nM mouse-1 10.1021/jm991081g
Mus musculus Mus musculus CD50 0.071 nM 10.1021/jm9803020
Mus musculus Mus musculus CD50 0.094 nM 10.1021/jm9803020
Mus musculus Mus musculus CD50 0.232 nM 10.1021/jm9803020
Mus musculus Mus musculus CD50 0.468 nM 10.1021/jm9803020
Mus musculus Mus musculus Inhibition nan % 10.1021/jm101206p
Mus musculus Nuclear receptor ROR-gamma Potency 35481.3 nM None
Rattus norvegicus Excitatory amino acid transporter 2 Control 39.0 % 10.1016/S0960-894X(00)80103-1
Rattus norvegicus Excitatory amino acid transporter 2 Control nan None 10.1016/S0960-894X(00)80103-1
Rattus norvegicus Glutamate NMDA receptor Activity 243.0 % 10.1021/jm970719q
Rattus norvegicus Glutamate NMDA receptor EC50 25000.0 nM 10.1021/jm9803020
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1016/0960-894X(96)00436-2
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1016/S0960-894X(00)80035-9
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm00033a003
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm950826p
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm9801206
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm9803020
Rattus norvegicus Glutamate NMDA receptor IC50 100000.0 nM 10.1021/jm991081g
Rattus norvegicus Glutamate NMDA receptor Ki 100000.0 nM 10.1021/acs.jmedchem.8b01986
Rattus norvegicus Glutamate NMDA receptor Ki 100000.0 nM 10.1021/jm1001452
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 IC50 100000.0 nM 10.1021/jm00033a003
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 2000.0 nM 10.1016/0960-894X(96)00436-2
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1016/S0960-894X(00)80035-9
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1021/acs.jmedchem.8b01986
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1021/jm00079a013
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1021/jm950826p
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1021/jm9801206
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1021/jm9803020
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 4000.0 nM 10.1021/jm991081g
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 6000.0 nM 10.1021/jm00033a003
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 100000.0 nM 10.1021/jm950826p
Rattus norvegicus Glutamate receptor ionotropic, AMPA IC50 nan nM 10.1021/jm950028z
Rattus norvegicus Glutamate receptor ionotropic, AMPA Ki 29.7 nM 10.1021/jm050584l
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 Activity 18.0 % 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 EC50 23000.0 nM 10.1016/j.bmc.2009.12.072
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 EC50 23000.0 nM 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 EC50 27000.0 nM 10.1016/j.bmc.2009.12.072
Rattus norvegicus Glutamate receptor ionotropic, AMPA 1 Ki 477.0 nM 10.1021/jm800865a
Rattus norvegicus Glutamate receptor ionotropic, AMPA 2 Activity 15.0 % 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 2 EC50 380000.0 nM 10.1016/j.bmc.2009.12.072
Rattus norvegicus Glutamate receptor ionotropic, AMPA 2 EC50 380000.0 nM 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 2 Ki 3690.0 nM 10.1021/jm800865a
Rattus norvegicus Glutamate receptor ionotropic, AMPA 2 Ki 6300.0 nM 10.1021/jm301433m
Rattus norvegicus Glutamate receptor ionotropic, AMPA 3 Activity 45.0 % 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 3 EC50 31000.0 nM 10.1016/j.bmc.2009.12.072
Rattus norvegicus Glutamate receptor ionotropic, AMPA 3 EC50 40000.0 nM 10.1016/j.bmc.2009.12.072
Rattus norvegicus Glutamate receptor ionotropic, AMPA 3 EC50 40000.0 nM 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 3 Ki 1980.0 nM 10.1021/jm800865a
Rattus norvegicus Glutamate receptor ionotropic, AMPA 4 Activity 55.0 % 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 4 EC50 47000.0 nM 10.1016/j.bmc.2009.12.072
Rattus norvegicus Glutamate receptor ionotropic, AMPA 4 EC50 47000.0 nM 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic, AMPA 4 Ki 3570.0 nM 10.1021/jm800865a
Rattus norvegicus Glutamate receptor ionotropic, kainate Effect 100.0 % 10.1021/jm970719q
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 4.3 nM 10.1016/0960-894X(96)00436-2
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 5.4 nM 10.1021/jm950028z
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 7.0 nM 10.1021/jm9801206
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 7.0 nM 10.1021/jm9803020
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 7.0 nM 10.1021/jm991081g
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 10.0 nM 10.1021/jm50001a023
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 11.0 nM 10.1021/jm00014a002
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 13.0 nM 10.1021/jm00371a005
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 16.0 nM 10.1016/S0960-894X(00)80035-9
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 16.0 nM 10.1021/jm00079a013
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 16.0 nM 10.1021/jm950826p
Rattus norvegicus Glutamate receptor ionotropic, kainate IC50 20.0 nM 10.1021/jm00033a003
Rattus norvegicus Glutamate receptor ionotropic, kainate Relative potency 9.0 None 10.1021/jm9502908
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Activity 97.0 % 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic kainate 1 EC50 12000.0 nM 10.1016/s0960-894x(00)00346-2
Rattus norvegicus Glutamate receptor ionotropic kainate 1 EC50 37000.0 nM 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 70.79 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 75.9 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Ki 76.0 nM 10.1021/jm800865a
Rattus norvegicus Glutamate receptor ionotropic kainate 1 Rmax 100.0 % 10.1016/s0960-894x(00)00346-2
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Activity 98.0 % 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Bmax 1.53 pmol/mg 10.1021/jm050584l
Rattus norvegicus Glutamate receptor ionotropic kainate 2 EC50 1800.0 nM 10.1021/jm900565c
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Kd 39.0 nM 10.1021/jm050584l
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 3.7 nM 10.1021/jm960155a
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 12.3 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 12.7 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 2 Ki 12.7 nM 10.1021/jm800865a
Rattus norvegicus Glutamate receptor ionotropic kainate 3 Ki 3.802 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 3 Ki 32.8 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 4 Ki 4.7 nM 10.1021/jm800092x
Rattus norvegicus Glutamate receptor ionotropic kainate 5 Ki 15.0 nM 10.1021/jm800092x
Rattus norvegicus Hippocampus Activity nan None 10.1038/nature05704
Rattus norvegicus Rattus norvegicus Activity 32.0 % 10.1016/S0960-894X(00)80228-0
Rattus norvegicus Rattus norvegicus Activity 45.0 % 10.1016/S0960-894X(00)80228-0
Rattus norvegicus Rattus norvegicus Activity nan None 10.1038/nature05704
Rattus norvegicus Rattus norvegicus EC50 3700.0 nM 10.1021/jm950028z
Rattus norvegicus Rattus norvegicus EC50 25000.0 nM 10.1021/jm991081g
Rattus norvegicus Rattus norvegicus Enzyme activity 34.0 % 10.1021/jm00105a019
Rattus norvegicus Rattus norvegicus Enzyme activity 44.0 % 10.1021/jm00105a019
Rattus norvegicus Rattus norvegicus IC50 17.8 nM 10.1021/jm00367a010
Rattus norvegicus Rattus norvegicus Ki 3801.89 nM 10.1021/jm00033a003
Rattus norvegicus Rattus norvegicus Ki 1174897554939.53 nM 10.1021/jm00033a003
Rattus norvegicus Rattus norvegicus Relative potency 100.0 None 10.1021/jm9502908
Rattus norvegicus Rattus norvegicus Relative potency 150.0 None 10.1016/S0960-894X(00)80404-7
Rattus norvegicus Rattus norvegicus Release 2.63 % 10.1021/jm00168a007
Rattus norvegicus Rattus norvegicus Release 2.65 % 10.1021/jm00168a007
Rattus norvegicus Rattus norvegicus Seizure score 4.2 None 10.1016/s0960-894x(01)00262-1
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 354.8 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 3.813 % 10.6019/CHEMBL4495564
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
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.08 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 15.34 % 10.21203/rs.3.rs-23951/v1
Trypanosoma brucei 6-phospho-1-fructokinase Potency 33807.8 nM None
Trypanosoma cruzi Trypanosoma cruzi EC50 3000.0 nM 10.1128/aac.01777-09
None ADMET Activity nan None 10.1021/acs.jnatprod.9b00128
None ADMET EC50 13000.0 nM 10.1128/aac.01777-09
None ADMET EC50 17300.0 nM 10.1016/j.bmc.2007.11.080
None ADMET pKa1 2.1 None 10.1021/jm991081g
None ADMET pKa2 4.3 None 10.1021/jm991081g
None ADMET pKa3 10.1 None 10.1021/jm991081g
None ADMET TIME 0.25 hr 10.1021/acs.jnatprod.9b00128
None Astrocyte Activity nan None 10.1038/nature05704
None Molecular identity unknown EC50 12000.0 nM 10.1021/jm9911682
None Neuron Activity 10.5 uM 10.1038/nature05704
None Neuron Activity nan None 10.1038/nature05704
None NON-PROTEIN TARGET Rmax 100.0 % 10.1021/jm9911682
None No relevant target pKa 2.1 None 10.1021/jm9502908
None No relevant target pKa 4.3 None 10.1021/jm9502908
None No relevant target pKa 10.1 None 10.1021/jm9502908
None Unchecked Ac50 44.67 uM None
None Unchecked AC50 44668.4 nM None
None Unchecked Activity 90.0 % 10.1021/np50094a001
None Unchecked Activity 103.0 % 10.1021/jm00112a012
None Unchecked Activity nan None 10.1038/nature05704
None Unchecked EC50 29060.0 nM 10.1016/j.bmc.2009.12.072
None Unchecked EC50 64600.0 nM 10.1016/j.bmc.2009.12.072
None Unchecked Efficacy 0.0 None 10.1021/jm2004078
None Unchecked Efficacy 0.155 None 10.1021/jm2004078
None Unchecked IC50 7.0 nM 10.1021/acs.jmedchem.8b01986
None Unchecked IC50 7.0 nM 10.1021/jm1001452
None Unchecked IC50 68.0 nM 10.1016/j.bmc.2010.07.034
None Unchecked IC50 4000.0 nM 10.1021/jm1001452
None Unchecked IC50 100000.0 nM 10.1021/jm00079a013
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Kb 27.2 nM 10.1021/jm2004078
None Unchecked Kb 703.6 nM 10.1021/jm2004078
None Unchecked Kb 2150.0 nM 10.1021/jm2004078
None Unchecked Ki 35.0 nM 10.1021/np50094a001
None Unchecked Ratio 1.6 None 10.1021/jm9803020
None Unchecked Ratio 4.7 None 10.1021/jm9803020
None Unchecked Ratio 6.3 None 10.1021/jm9803020
None Unchecked Ratio EC50 4.3 None 10.1128/aac.01777-09
None Unchecked Repolarization time 19.9 None 10.1021/jm00399a030

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT005162 CC(C)=CCN[C@@H](CCC(=O)O)C(=O)O>>C=C(C)[C@H]1CN[C@H](C(=O)O)[C@H]1CC(=O)O RXN-20851