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name Structure Reference Source Properties Activities Metabolism

(E)-N-(4-aminobenzenesulfonyl)ethanimidic acid

AlkaPlorer ID: AK111235

Synonym: None

IUPAC Name: N-(4-aminophenyl)sulfonylacetamide

Structure

SMILES: CC(O)=NS(=O)(=O)C1=CC=C(N)C=C1

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InChI: InChI=1S/C8H10N2O3S/c1-6(11)10-14(12,13)8-4-2-7(9)3-5-8/h2-5H,9H2,1H3,(H,10,11)

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InChIKey: SKIVFJLNDNKQPD-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Apis cerana Apis Apidae Hymenoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 214.246

TPSA？: 92.75

MolLogP？: 0.9339000000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 21.15 % 10.6019/CHEMBL4513141
Bacillus subtilis Bacillus subtilis Activity nan None 10.1016/j.bmcl.2014.07.070
Bacillus subtilis Bacillus subtilis IZ 22.0 mm 10.1016/j.bmcl.2014.07.070
Bacillus subtilis Bacillus subtilis IZ 22.0 mm 10.1016/j.ejmech.2012.12.061
Bacillus subtilis Bacillus subtilis IZ 25.0 mm 10.1016/j.bmc.2010.03.019
Bacillus subtilis Bacillus subtilis MIC 2.0 ug.mL-1 10.1016/j.bmc.2010.03.019
Bacillus subtilis Bacillus subtilis MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.12.061
Bos taurus Dihydrofolate reductase IC50 22000.0 nM 10.1016/j.bmc.2010.03.019
Bos taurus Dihydrofolate reductase IC50 nan None 10.1016/j.ejmech.2012.12.061
Candida albicans Candida albicans Activity nan None 10.1016/j.bmcl.2014.07.070
Candida albicans Candida albicans Inhibition 1.53 % 10.6019/CHEMBL4513141
Candida albicans Candida albicans IZ 25.0 mm 10.1016/j.bmcl.2014.07.070
Cryptococcus neoformans Cryptococcus neoformans Inhibition 0.24 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli Activity nan None 10.1016/j.bmcl.2014.07.070
Escherichia coli Escherichia coli Inhibition 1.92 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli IZ 18.0 mm 10.1016/j.bmcl.2014.07.070
Escherichia coli Escherichia coli IZ 28.0 mm 10.1016/j.ejmech.2012.12.061
Escherichia coli Escherichia coli -Log C -0.52 None 10.1021/jm00361a014
Escherichia coli Escherichia coli -Log C 3.248 None 10.1021/jm00361a014
Escherichia coli Escherichia coli MIC 1.0 ug.mL-1 10.1016/j.ejmech.2012.12.061
Escherichia coli Escherichia coli MIC 2000.0 ug.mL-1 10.1016/j.ejmech.2012.03.008
Escherichia coli Escherichia coli Ratio 1.0 None 10.1016/j.ejmech.2012.03.008
Escherichia coli K-12 Dihydropteroate synthase GII50 3800.0 None 10.1021/jm00136a015
Homo sapiens Adenosine A1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Androgen Receptor Potency 125.9 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens Cyclooxygenase-2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dihydrofolate reductase IC50 18000.0 nM 10.1016/j.bmc.2010.03.019
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Equilibrative nucleoside transporter 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 1412.5 nM None
Homo sapiens Ghrelin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -15.32 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -2.04 % 10.6019/CHEMBL4808148
Homo sapiens Interleukin-8 Potency 66824.2 nM None
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Lymphoblastoid cell Potency 501.2 nM None
Homo sapiens Melanocortin receptor 3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug and toxin extrusion protein 1 IC50 500000.0 nM 10.1021/jm301302s
Homo sapiens Multidrug and toxin extrusion protein 1 Inhibition 80.0 % 10.1021/jm301302s
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Survival motor neuron protein Potency 1122.0 nM None
Homo sapiens TAR DNA-binding protein 43 Potency 1000.0 nM None
Homo sapiens Thromboxane A2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 631.0 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8912.5 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 100000.0 nM None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Influenza A virus Nonstructural protein 1 Potency 2818.4 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 11.67 % 10.6019/CHEMBL4513141
Micrococcus luteus Micrococcus luteus IZ 18.0 mm 10.1016/j.ejmech.2012.12.061
Micrococcus luteus Micrococcus luteus MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.12.061
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mycobacterium tuberculosis Mycobacterium tuberculosis MBC 256.0 ug ml-1 10.1016/j.bmc.2012.04.060
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 64.0 ug.mL-1 10.1016/j.bmc.2012.04.060
Pasteurella multocida Pasteurella multocida IZ 20.46 mm 10.1016/j.bmcl.2006.11.001
Pasteurella multocida Pasteurella multocida IZ 21.22 mm 10.1016/j.bmcl.2006.11.001
Pasteurella multocida Pasteurella multocida IZ 22.15 mm 10.1016/j.bmcl.2006.11.001
Pseudomonas aeruginosa Pseudomonas aeruginosa Activity nan None 10.1016/j.bmcl.2014.07.070
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 6.24 % 10.6019/CHEMBL4513141
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 25.0 mm 10.1016/j.ejmech.2012.12.061
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 28.0 mm 10.1016/j.bmcl.2014.07.070
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.12.061
Rattus norvegicus Androgen Receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 13.66 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.2126 None 10.1101/2020.04.21.054387
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 -3.73 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.23 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1016/j.bmcl.2014.07.070
Staphylococcus aureus Staphylococcus aureus Inhibition 13.64 % 10.6019/CHEMBL4513141
Staphylococcus aureus Staphylococcus aureus IZ 20.0 mm 10.1016/j.bmcl.2014.07.070
Staphylococcus aureus Staphylococcus aureus IZ 20.0 mm 10.1016/j.ejmech.2012.12.061
Staphylococcus aureus Staphylococcus aureus IZ 28.0 mm 10.1016/j.bmc.2010.03.019
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1016/j.bmc.2010.03.019
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.12.061
None ADMET -Log alpha -3.15 None 10.1021/jm00361a014
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_elevated liver function tests 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic failure 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None No relevant target Log K nan None 10.1021/jm00361a014
None No relevant target LogP -0.96 None 10.1021/jm0611105
None No relevant target pKa 5.38 None 10.1021/jm00136a015
None No relevant target pKa 5.78 None 10.1021/jm00361a014
None No relevant target pKa_A1 5.25 None 10.6019/CHEMBL3301361
None No relevant target Solubility 6470.0 ug.mL-1 10.1016/j.bmc.2010.08.003
None Unchecked Ac50 39.81 uM None
None Unchecked AC50 39810.7 nM None
None Unchecked EII50 4.44 None 10.1021/jm00136a015

Metabolism Information