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name Structure Reference Source Properties Activities Metabolism

4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide

AlkaPlorer ID: AK011028

Synonym: None

IUPAC Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide

Structure

SMILES: CC1=CC(NS(=O)(=O)C2=CC=C(N)C=C2)=NO1

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InChI: InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)

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InChIKey: JLKIGFTWXXRPMT-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: 253.283

TPSA？: 98.22

MolLogP？: 1.3660199999999998

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 6.61 % 10.6019/CHEMBL4513141
Acinetobacter baumannii Acinetobacter baumannii MIC 4.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Acinetobacter baumannii Acinetobacter baumannii MIC 32.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Aspergillus fumigatus Aspergillus fumigatus MIC 250000.0 nM 10.1016/j.ejmech.2012.01.060
Bacillus cereus Bacillus cereus DIZ nan None 10.1016/j.ejmech.2013.03.012
Bacillus cereus Bacillus cereus IZ 10.0 mm 10.1016/j.ejmech.2009.07.023
Bacillus cereus Bacillus cereus IZ nan None 10.1007/s00044-008-9110-7
Bacillus cereus Bacillus cereus MIC 2.5 ug.mL-1 10.1016/j.ejmech.2018.12.017
Bacillus cereus Bacillus cereus MIC 6.2 ug.mL-1 10.1016/j.bmc.2018.05.015
Bacillus cereus Bacillus cereus MIC nan None 10.1016/j.ejmech.2013.03.012
Bacillus subtilis Bacillus subtilis Inhibition 15.5 mm 10.1016/j.bmcl.2004.09.084
Bacillus subtilis Bacillus subtilis Inhibition 18.5 mm 10.1016/j.bmcl.2004.09.084
Bacillus subtilis Bacillus subtilis Inhibition 20.0 mm 10.1016/j.bmcl.2004.09.084
Bacillus subtilis Bacillus subtilis IZ 22.8 mm 10.1016/j.bmcl.2004.10.076
Bacillus subtilis Bacillus subtilis IZ 25.46 mm 10.1016/j.bmcl.2004.10.076
Bacillus subtilis Bacillus subtilis IZ 27.43 mm 10.1016/j.bmcl.2004.10.076
Bacillus subtilis Bacillus subtilis IZ 27.9 mm 10.1016/j.bmcl.2004.10.076
Bacillus subtilis Bacillus subtilis Zone of inhibition 22.8 mM 10.1016/j.bmcl.2003.08.017
Bacillus subtilis Bacillus subtilis Zone of inhibition 25.4 mM 10.1016/j.bmcl.2003.08.017
Bacillus subtilis Bacillus subtilis Zone of inhibition 27.4 mM 10.1016/j.bmcl.2003.08.017
Bacillus subtilis Bacillus subtilis Zone of inhibition 27.9 mM 10.1016/j.bmcl.2003.08.017
Bos taurus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Bos taurus Progesterone receptor IC50 nan None None
Bos taurus Progesterone receptor Ki nan None None
Candida albicans Candida albicans Inhibition 6.42 % 10.6019/CHEMBL4513141
Cavia porcellus Leukotriene C4 synthase IC50 nan None None
Cavia porcellus Leukotriene C4 synthase Ki nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor IC50 nan None None
Cavia porcellus Serotonin 4 (5-HT4) receptor Ki nan None None
Citrobacter freundii Citrobacter freundii MIC 32.0 ug.mL-1 10.1128/aac.00830-08
Citrobacter freundii Citrobacter freundii MIC 256.0 ug.mL-1 10.1128/aac.00830-08
Citrobacter freundii Citrobacter freundii MIC 256.0 ug.mL-1 10.1128/aac.00886-08
Citrobacter freundii Citrobacter freundii MIC 512.0 ug.mL-1 10.1128/aac.00616-07
Cryptococcus neoformans Cryptococcus neoformans Inhibition 2.83 % 10.6019/CHEMBL4513141
Edwardsiella ictaluri Edwardsiella ictaluri MIC 19.0 ug.mL-1 10.1128/aac.01312-08
Enterobacter cloacae Enterobacter cloacae MIC 8.0 ug.mL-1 10.1016/j.ejmech.2022.114438
Enterobacter cloacae Enterobacter cloacae MIC 16.0 ug.mL-1 10.1128/aac.00830-08
Enterobacter cloacae Enterobacter cloacae MIC 256.0 ug.mL-1 10.1128/aac.00830-08
Enterobacter cloacae Enterobacter cloacae MIC 512.0 ug.mL-1 10.1128/aac.00616-07
Enterococcus faecalis Enterococcus faecalis MIC 16.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Enterococcus faecalis Enterococcus faecalis MIC 64.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Enterococcus faecium Enterococcus faecium MIC 4.0 ug.mL-1 10.1016/j.bmc.2008.04.011
Enterococcus faecium Enterococcus faecium MIC 4.0 ug.mL-1 10.1016/j.ejmech.2022.114438
Escherichia coli Escherichia coli Activity 39.8 % 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity 58.7 % 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity 61.3 % 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity 63.2 % 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity 71.5 % 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity 77.0 % 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.00375-07
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.01783-09
Escherichia coli Escherichia coli DIZ nan None 10.1016/j.ejmech.2013.03.012
Escherichia coli Escherichia coli Inhibition 18.5 mm 10.1016/j.bmcl.2004.09.084
Escherichia coli Escherichia coli Inhibition 20.5 mm 10.1016/j.bmcl.2004.09.084
Escherichia coli Escherichia coli Inhibition 22.5 mm 10.1016/j.bmcl.2004.09.084
Escherichia coli Escherichia coli Inhibition 28.59 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli IZ 4.8 mm 10.1007/s00044-008-9110-7
Escherichia coli Escherichia coli IZ 8.0 mm 10.1016/j.bmc.2016.01.041
Escherichia coli Escherichia coli IZ 10.0 mm 10.1016/j.bmc.2016.01.041
Escherichia coli Escherichia coli IZ 12.0 mm 10.1016/j.bmc.2016.01.041
Escherichia coli Escherichia coli IZ 12.0 mm 10.1016/j.ejmech.2009.07.023
Escherichia coli Escherichia coli IZ 18.0 mm 10.1007/s00044-009-9214-8
Escherichia coli Escherichia coli IZ 18.0 mm 10.1007/s00044-012-0039-5
Escherichia coli Escherichia coli IZ 19.63 mm 10.1016/j.bmcl.2004.10.076
Escherichia coli Escherichia coli IZ 22.93 mm 10.1016/j.bmcl.2004.10.076
Escherichia coli Escherichia coli IZ 23.23 mm 10.1016/j.bmcl.2004.10.076
Escherichia coli Escherichia coli IZ 24.03 mm 10.1016/j.bmcl.2004.10.076
Escherichia coli Escherichia coli -Log C 0.06 None 10.1021/jm00361a014
Escherichia coli Escherichia coli -Log C 4.634 None 10.1021/jm00361a014
Escherichia coli Escherichia coli MBC nan None 10.1128/aac.00375-07
Escherichia coli Escherichia coli MIC 0.004 ug.mL-1 10.1128/aac.01783-09
Escherichia coli Escherichia coli MIC 0.01 ug.mL-1 10.1128/aac.01783-09
Escherichia coli Escherichia coli MIC 0.03 ug.mL-1 10.1128/aac.01783-09
Escherichia coli Escherichia coli MIC 0.13 ug.mL-1 10.1128/aac.01783-09
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1016/j.bmc.2008.04.011
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1128/aac.00688-09
Escherichia coli Escherichia coli MIC 2.4 ug.mL-1 10.1128/aac.01312-08
Escherichia coli Escherichia coli MIC 2.5 ug.mL-1 10.1016/j.ejmech.2018.12.017
Escherichia coli Escherichia coli MIC 3.1 ug.mL-1 10.1016/j.bmc.2018.05.015
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1007/s00044-010-9474-3
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1128/aac.00310-09
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1128/aac.00886-08
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1128/aac.00310-09
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1128/aac.00616-07
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.00638-08
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.00688-09
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.00830-08
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.00886-08
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.01400-08
Escherichia coli Escherichia coli MIC 19.0 ug.mL-1 10.1128/aac.01312-08
Escherichia coli Escherichia coli MIC 25.0 ug.mL-1 10.1016/j.bmc.2018.05.015
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1128/aac.00167-07
Escherichia coli Escherichia coli MIC 128.0 ug.mL-1 10.1128/aac.00886-08
Escherichia coli Escherichia coli MIC 256.0 ug.mL-1 10.1016/j.ejmech.2021.113979
Escherichia coli Escherichia coli MIC 256.0 ug.mL-1 10.1128/aac.00638-08
Escherichia coli Escherichia coli MIC 256.0 ug.mL-1 10.1128/aac.00830-08
Escherichia coli Escherichia coli MIC 256.0 ug.mL-1 10.1128/aac.00886-08
Escherichia coli Escherichia coli MIC 512.0 ug.mL-1 10.1128/aac.00167-07
Escherichia coli Escherichia coli MIC 512.0 ug.mL-1 10.1128/aac.00616-07
Escherichia coli Escherichia coli MIC 1024.0 ug.mL-1 10.1128/aac.00375-07
Escherichia coli Escherichia coli MIC 1024.0 ug.mL-1 10.1128/aac.00688-09
Escherichia coli Escherichia coli MIC 1024.0 ug.mL-1 10.1128/aac.01400-08
Escherichia coli Escherichia coli MIC 16000.0 nM 10.1016/j.bmc.2014.03.044
Escherichia coli Escherichia coli MIC 160000.0 nM 10.1016/j.ejmech.2013.03.012
Escherichia coli Escherichia coli MIC 500000.0 nM 10.1016/j.ejmech.2012.01.060
Escherichia coli Escherichia coli Zone of inhibition 19.6 mM 10.1016/j.bmcl.2003.08.017
Escherichia coli Escherichia coli Zone of inhibition 22.9 mM 10.1016/j.bmcl.2003.08.017
Escherichia coli Escherichia coli Zone of inhibition 23.2 mM 10.1016/j.bmcl.2003.08.017
Escherichia coli Escherichia coli Zone of inhibition 23.6 mM 10.1016/j.bmcl.2003.08.017
Escherichia coli K-12 Dihydropteroate synthase IC50 4700.0 nM 10.1021/jm00150a019
Escherichia coli (strain K12) 30S ribosomal protein S18 Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) Bifunctional protein FolC Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) Exodeoxyribonuclease V IC50 118559.0 nM None
Escherichia coli (strain K12) Outer membrane protein TolC Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) Thymidylate kinase Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) tRNA threonylcarbamoyladenosine biosynthesis protein TsaE Inhibition nan % 10.1038/nchembio.221
Homo sapiens Acetylcholinesterase IC50 nan None None
Homo sapiens Acetylcholinesterase Ki nan None None
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A1 receptor IC50 nan None None
Homo sapiens Adenosine A1 receptor Ki nan None None
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor IC50 nan None None
Homo sapiens Adenosine A2a receptor Ki nan None None
Homo sapiens Adenosine A3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor IC50 nan None None
Homo sapiens Adenosine A3 receptor Ki nan None None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 11220.2 nM None
Homo sapiens Alpha-1a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 13617.6 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-1d adrenergic receptor IC50 nan None None
Homo sapiens Alpha-1d adrenergic receptor Ki nan None None
Homo sapiens Alpha-2a adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2a adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2a adrenergic receptor Ki nan None None
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2b adrenergic receptor Ki nan None None
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor IC50 nan None None
Homo sapiens Alpha-2c adrenergic receptor Ki nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor IC50 nan None None
Homo sapiens Angiotensin II type 2 (AT-2) receptor Ki nan None None
Homo sapiens Beta-1 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-1 adrenergic receptor IC50 nan None None
Homo sapiens Beta-1 adrenergic receptor Ki nan None None
Homo sapiens Beta-2 adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-2 adrenergic receptor IC50 nan None None
Homo sapiens Beta-2 adrenergic receptor Ki nan None None
Homo sapiens Beta-3 adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Beta-3 adrenergic receptor IC50 nan None None
Homo sapiens Beta-3 adrenergic receptor Ki nan None None
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 135000.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bradykinin B1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bradykinin B2 receptor IC50 nan None None
Homo sapiens Bradykinin B2 receptor Ki nan None None
Homo sapiens Calcitonin receptor IC50 nan None None
Homo sapiens Calcitonin receptor Ki nan None None
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor IC50 nan None None
Homo sapiens Cannabinoid CB1 receptor Ki nan None None
Homo sapiens Carbonic anhydrase II IC50 nan None None
Homo sapiens Carbonic anhydrase II Ki nan None None
Homo sapiens Caspase-1 IC50 nan None None
Homo sapiens Caspase-1 Ki nan None None
Homo sapiens Cathepsin G IC50 nan None None
Homo sapiens Cathepsin G Ki nan None None
Homo sapiens C-C chemokine receptor type 2 IC50 nan None None
Homo sapiens C-C chemokine receptor type 2 Ki nan None None
Homo sapiens C-C chemokine receptor type 4 IC50 nan None None
Homo sapiens C-C chemokine receptor type 4 Ki nan None None
Homo sapiens C-C chemokine receptor type 5 IC50 nan None None
Homo sapiens C-C chemokine receptor type 5 Ki nan None None
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor IC50 nan None None
Homo sapiens Cholecystokinin A receptor Ki nan None None
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Corticotropin releasing factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 IC50 nan None None
Homo sapiens Cyclooxygenase-1 Ki nan None None
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-2 IC50 nan None None
Homo sapiens Cyclooxygenase-2 Ki nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 IC50 nan None None
Homo sapiens Cysteinyl leukotriene receptor 1 Ki nan None None
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 1A2 IC50 nan None None
Homo sapiens Cytochrome P450 1A2 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 1A2 Ki nan None None
Homo sapiens Cytochrome P450 2A6 IC50 nan None None
Homo sapiens Cytochrome P450 2A6 Ki nan None None
Homo sapiens Cytochrome P450 2B6 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 IC50 nan None None
Homo sapiens Cytochrome P450 2C19 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C19 Ki nan None None
Homo sapiens Cytochrome P450 2C8 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2C9 IC50 nan None None
Homo sapiens Cytochrome P450 2C9 Inhibition -17.1 % 10.1021/jm060706p
Homo sapiens Cytochrome P450 2C9 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2C9 Ki nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 nan None None
Homo sapiens Cytochrome P450 2D6 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 2D6 Ki nan None None
Homo sapiens Cytochrome P450 2E1 IC50 nan None None
Homo sapiens Cytochrome P450 2E1 Ki nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 FC 1.0 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 nan None None
Homo sapiens Cytochrome P450 3A4 Inhibition 10.0 % 10.1124/dmd.111.039180
Homo sapiens Cytochrome P450 3A4 Ki nan None None
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor IC50 nan None None
Homo sapiens Delta opioid receptor Ki nan None None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D1 receptor IC50 nan None None
Homo sapiens Dopamine D1 receptor Ki nan None None
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor IC50 nan None None
Homo sapiens Dopamine D2 receptor Ki nan None None
Homo sapiens Dopamine D3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor IC50 nan None None
Homo sapiens Dopamine D3 receptor Ki nan None None
Homo sapiens Dopamine D4 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D4 receptor IC50 nan None None
Homo sapiens Dopamine D4 receptor Ki nan None None
Homo sapiens Dopamine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter IC50 nan None None
Homo sapiens Dopamine transporter Ki nan None None
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A IC50 nan None None
Homo sapiens Endothelin receptor ET-A Ki nan None None
Homo sapiens Endothelin receptor ET-B AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Epidermal growth factor receptor erbB1 IC50 nan None None
Homo sapiens Epidermal growth factor receptor erbB1 Ki nan None None
Homo sapiens Equilibrative nucleoside transporter 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor alpha IC50 nan None None
Homo sapiens Estrogen receptor alpha Ki nan None None
Homo sapiens Estrogen receptor alpha Potency 28183.8 nM None
Homo sapiens Estrogen receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Estrogen receptor beta IC50 nan None None
Homo sapiens Estrogen receptor beta Ki nan None None
Homo sapiens Gastric inhibitory polypeptide receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Geminin Potency 25929.0 nM None
Homo sapiens Ghrelin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucagon receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor IC50 nan None None
Homo sapiens Glucocorticoid receptor Ki nan None None
Homo sapiens HepG2 IC50 2622000.0 nM 10.1016/j.ejmech.2012.01.060
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens HERG IC50 nan None None
Homo sapiens HERG Ki nan None None
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor IC50 nan None None
Homo sapiens Histamine H1 receptor Ki nan None None
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor IC50 nan None None
Homo sapiens Histamine H2 receptor Ki nan None None
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -42.18 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 7.3 % 10.6019/CHEMBL4808148
Homo sapiens HMG-CoA reductase IC50 nan None None
Homo sapiens HMG-CoA reductase Ki nan None None
Homo sapiens Homo sapiens CL 0.3 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 0.36 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 0.36 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.05 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL_renal 0.1 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens Cmax 157927.98 nM 10.1128/aac.00375-07
Homo sapiens Homo sapiens Compound Recovery 84.5 % None
Homo sapiens Homo sapiens Css 68.0 mcg/mL None
Homo sapiens Homo sapiens Css min 57.4 mcg/mL None
Homo sapiens Homo sapiens Fa 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 1.0 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.01 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.99 None 10.1021/jm901371v
Homo sapiens Homo sapiens T1/2 10.0 hr None
Homo sapiens Homo sapiens Tmax 1.0 hr None
Homo sapiens Homo sapiens Vdss 0.3 L.kg-1 10.1021/jm901371v
Homo sapiens Hydroxycarboxylic acid receptor 2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Interleukin-8 Potency 66824.2 nM None
Homo sapiens Interleukin-8 receptor A IC50 nan None None
Homo sapiens Interleukin-8 receptor A Ki nan None None
Homo sapiens Interleukin-8 receptor B IC50 nan None None
Homo sapiens Interleukin-8 receptor B Ki nan None None
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Kappa opioid receptor IC50 nan None None
Homo sapiens Kappa opioid receptor Ki nan None None
Homo sapiens Leukocyte common antigen IC50 nan None None
Homo sapiens Leukocyte common antigen Ki nan None None
Homo sapiens Leukocyte elastase IC50 nan None None
Homo sapiens Leukocyte elastase Ki nan None None
Homo sapiens Liver microsome CL 0.000213 mL.min-1.g-1 10.1124/dmd.111.039180
Homo sapiens Liver microsome Drug metabolism 21.3 pmol/min 10.1124/dmd.111.039180
Homo sapiens Liver microsome PB 3.2 pmol 10.1124/dmd.111.039180
Homo sapiens MAP kinase ERK1 IC50 nan None None
Homo sapiens MAP kinase ERK1 Ki nan None None
Homo sapiens MAP kinase ERK2 IC50 nan None None
Homo sapiens MAP kinase ERK2 Ki nan None None
Homo sapiens MAP kinase p38 alpha IC50 nan None None
Homo sapiens MAP kinase p38 alpha Ki nan None None
Homo sapiens Matrix metalloproteinase-1 IC50 nan None None
Homo sapiens Matrix metalloproteinase-1 Ki nan None None
Homo sapiens Matrix metalloproteinase 9 IC50 nan None None
Homo sapiens Matrix metalloproteinase 9 Ki nan None None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 3 IC50 nan None None
Homo sapiens Melanocortin receptor 3 Ki nan None None
Homo sapiens Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Melanocortin receptor 4 IC50 nan None None
Homo sapiens Melanocortin receptor 4 Ki nan None None
Homo sapiens Melanocortin receptor 5 IC50 nan None None
Homo sapiens Melanocortin receptor 5 Ki nan None None
Homo sapiens Microtubule-associated protein tau Potency 8912.5 nM None
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A IC50 nan None None
Homo sapiens Monoamine oxidase A Ki nan None None
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens MT4 ED50 79.0 uM 10.1021/jm0499110
Homo sapiens Multidrug resistance-associated protein 4 IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Mu opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Mu opioid receptor IC50 nan None None
Homo sapiens Mu opioid receptor Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M1 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M1 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M2 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M3 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M4 Ki nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 IC50 nan None None
Homo sapiens Muscarinic acetylcholine receptor M5 Ki nan None None
Homo sapiens Neurokinin 1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neurokinin 1 receptor IC50 nan None None
Homo sapiens Neurokinin 1 receptor Ki nan None None
Homo sapiens Neurokinin 2 receptor IC50 nan None None
Homo sapiens Neurokinin 2 receptor Ki nan None None
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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 1 Ki nan None None
Homo sapiens Neuropeptide Y receptor type 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 2 IC50 nan None None
Homo sapiens Neuropeptide Y receptor type 2 Ki nan None None
Homo sapiens Neurotensin receptor 1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Norepinephrine transporter IC50 nan None None
Homo sapiens Norepinephrine transporter Ki nan None None
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 Phosphodiesterase 5A IC50 nan None None
Homo sapiens Phosphodiesterase 5A Ki nan None None
Homo sapiens Platelet activating factor receptor IC50 nan None None
Homo sapiens Platelet activating factor receptor Ki nan None None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Protein-arginine deiminase type-4 IC50 10000000.0 nM 10.1016/j.bmc.2007.10.021
Homo sapiens Protein kinase C alpha IC50 nan None None
Homo sapiens Protein kinase C alpha Ki nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 IC50 nan None None
Homo sapiens Receptor protein-tyrosine kinase erbB-2 Ki nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform IC50 nan None None
Homo sapiens Serine/threonine protein phosphatase 2B catalytic subunit, alpha isoform Ki nan None None
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 2a (5-HT2a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2a (5-HT2a) receptor IC50 nan None None
Homo sapiens Serotonin 2a (5-HT2a) receptor Ki nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2b (5-HT2b) receptor IC50 nan None None
Homo sapiens Serotonin 2b (5-HT2b) receptor Ki nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor IC50 nan None None
Homo sapiens Serotonin 2c (5-HT2c) receptor Ki nan None None
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 6 (5-HT6) receptor IC50 nan None None
Homo sapiens Serotonin 6 (5-HT6) receptor Ki nan None None
Homo sapiens Serotonin transporter AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter IC50 nan None None
Homo sapiens Serotonin transporter Ki nan None None
Homo sapiens Sigma opioid receptor IC50 nan None None
Homo sapiens Sigma opioid receptor Ki nan None None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 104.29 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 94.47 % 10.1124/mol.112.084152
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane-A synthase IC50 nan None None
Homo sapiens Thromboxane-A synthase Ki nan None None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosine-protein kinase FYN IC50 nan None None
Homo sapiens Tyrosine-protein kinase FYN Ki nan None None
Homo sapiens Tyrosine-protein kinase LCK IC50 nan None None
Homo sapiens Tyrosine-protein kinase LCK Ki nan None None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 2 Potency 43239.7 nM None
Homo sapiens Vascular endothelial growth factor receptor 1 IC50 nan None None
Homo sapiens Vascular endothelial growth factor receptor 1 Ki nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 IC50 nan None None
Homo sapiens Vasoactive intestinal polypeptide receptor 1 Ki nan None None
Homo sapiens Vasopressin V1a receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V1a receptor IC50 nan None None
Homo sapiens Vasopressin V1a receptor Ki nan None None
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Kd 577.0 nM 10.1021/jm0499110
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Ki 10.1 nM 10.1021/jm0499110
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease k_off 0.06 s-1 10.1021/jm0499110
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease k_on 188000.0 M-1.s-1 10.1021/jm0499110
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 4.09 % 10.6019/CHEMBL4513141
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 8.5 mm 10.1016/j.bmcl.2004.09.084
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 9.0 mm 10.1016/j.bmcl.2004.09.084
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 11.5 mm 10.1016/j.bmcl.2004.09.084
Klebsiella pneumoniae Klebsiella pneumoniae IZ 10.0 mm 10.1016/j.ejmech.2009.07.023
Klebsiella pneumoniae Klebsiella pneumoniae IZ 11.63 mm 10.1016/j.bmcl.2004.10.076
Klebsiella pneumoniae Klebsiella pneumoniae IZ 14.92 mm 10.1016/j.bmcl.2004.10.076
Klebsiella pneumoniae Klebsiella pneumoniae IZ 22.43 mm 10.1016/j.bmcl.2004.10.076
Klebsiella pneumoniae Klebsiella pneumoniae IZ 26.46 mm 10.1016/j.bmcl.2004.10.076
Klebsiella pneumoniae Klebsiella pneumoniae MIC 8.0 ug.mL-1 10.1016/j.bmc.2008.04.011
Klebsiella pneumoniae Klebsiella pneumoniae MIC 8.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Klebsiella pneumoniae Klebsiella pneumoniae MIC 16.0 ug.mL-1 10.1128/aac.00830-08
Klebsiella pneumoniae Klebsiella pneumoniae MIC 32.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Klebsiella pneumoniae Klebsiella pneumoniae MIC 64.0 ug.mL-1 10.1128/aac.00830-08
Klebsiella pneumoniae Klebsiella pneumoniae MIC 256.0 ug.mL-1 10.1128/aac.00830-08
Klebsiella pneumoniae Klebsiella pneumoniae MIC 256.0 ug.mL-1 10.1128/aac.00886-08
Klebsiella pneumoniae Klebsiella pneumoniae MIC 512.0 ug.mL-1 10.1128/aac.00167-07
Klebsiella pneumoniae Klebsiella pneumoniae MIC 608.0 ug.mL-1 10.1128/aac.00011-10
Klebsiella pneumoniae Klebsiella pneumoniae MIC 2048.0 ug.mL-1 10.1016/j.ejmech.2021.113979
Klebsiella pneumoniae Klebsiella pneumoniae MIC 500000.0 nM 10.1016/j.ejmech.2012.01.060
Klebsiella pneumoniae Klebsiella pneumoniae Zone of inhibition 6.0 mM 10.1016/j.bmcl.2003.08.017
Klebsiella pneumoniae Klebsiella pneumoniae Zone of inhibition 11.6 mM 10.1016/j.bmcl.2003.08.017
Klebsiella pneumoniae Klebsiella pneumoniae Zone of inhibition 22.4 mM 10.1016/j.bmcl.2003.08.017
Klebsiella pneumoniae Klebsiella pneumoniae Zone of inhibition 26.4 mM 10.1016/j.bmcl.2003.08.017
Listeria monocytogenes Listeria monocytogenes IZ 10.9 mm 10.1007/s00044-008-9110-7
Listeria monocytogenes Listeria monocytogenes IZ 11.0 mm 10.1007/s00044-009-9214-8
Listeria monocytogenes Listeria monocytogenes IZ 11.0 mm 10.1007/s00044-012-0039-5
Mus musculus J774.A1 Activity 65.3 None 10.1128/aac.00375-07
Mus musculus J774.A1 Activity 90.0 % 10.1128/aac.00375-07
Mus musculus Mus musculus Log cfu/g of tissue 4.7 None 10.1021/jm9505122
Mus musculus Mus musculus Log cfu/g of tissue 7.3 None 10.1021/jm9505122
Mus musculus Nitric oxide synthase, inducible IC50 nan None None
Mus musculus Nitric oxide synthase, inducible Ki nan None None
Mycobacterium avium Mycobacterium avium MIC 32000.0 nM 10.1016/j.ejmech.2012.01.060
Mycobacterium avium Mycobacterium avium MIC 62500.0 nM 10.1016/j.ejmech.2012.01.060
Mycobacterium avium complex sp. Mycobacterium avium complex sp. MIC50 30.0 ug.mL-1 10.1016/j.ejmech.2012.01.060
Mycobacterium avium complex sp. Mycobacterium avium complex sp. MIC80 30.0 ug.mL-1 10.1016/j.ejmech.2012.01.060
Mycobacterium kansasii Mycobacterium kansasii MIC 4000.0 nM 10.1016/j.ejmech.2012.01.060
Mycobacterium kansasii Mycobacterium kansasii MIC 8000.0 nM 10.1016/j.ejmech.2012.01.060
Mycobacterium kansasii Mycobacterium kansasii MIC 16000.0 nM 10.1016/j.ejmech.2012.01.060
Mycobacterium tuberculosis Mycobacterium tuberculosis MBC 256.0 ug ml-1 10.1016/j.bmc.2012.04.060
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 32.0 ug.mL-1 10.1016/j.bmc.2012.04.060
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 32000.0 nM 10.1016/j.ejmech.2012.01.060
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 67000.0 nM 10.1016/j.ejmech.2018.11.054
Oryctolagus cuniculus Angiotensin-converting enzyme IC50 nan None None
Oryctolagus cuniculus Angiotensin-converting enzyme Ki nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase IC50 nan None None
Oryctolagus cuniculus Arachidonate 15-lipoxygenase Ki nan None None
Oryctolagus cuniculus Oryctolagus cuniculus KB app 100.0 uM 10.1021/jm00008a013
Pasteurella multocida Pasteurella multocida IZ 24.0 mm 10.1016/j.bmcl.2006.11.001
Pasteurella multocida Pasteurella multocida IZ 26.0 mm 10.1016/j.bmcl.2006.11.001
Pasteurella multocida Pasteurella multocida IZ 28.0 mm 10.1016/j.bmcl.2006.11.001
Pasteurella multocida Pasteurella multocida MIC 256.0 ug.mL-1 10.1128/aac.01522-08
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/acs.jnatprod.7b00570
Pneumocystis carinii Dihydrofolate reductase IC50 100.0 nM 10.1021/jm00024a001
Proteus Proteus IZ 20.0 mm 10.1007/s00044-009-9214-8
Proteus mirabilis Proteus mirabilis MIC 1024.0 ug.mL-1 10.1128/aac.01400-08
Proteus sp. Proteus sp. IZ 7.0 mm 10.1016/j.bmc.2016.01.041
Proteus sp. Proteus sp. IZ 8.0 mm 10.1016/j.bmc.2016.01.041
Proteus sp. Proteus sp. IZ 9.0 mm 10.1016/j.bmc.2016.01.041
Pseudomonas aeruginosa Pseudomonas aeruginosa DIZ nan None 10.1016/j.ejmech.2013.03.012
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 0.25 None 10.1016/j.ejmech.2020.112268
Pseudomonas aeruginosa Pseudomonas aeruginosa FICI 0.38 None 10.1016/j.ejmech.2020.112268
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 6.86 % 10.6019/CHEMBL4513141
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition nan None 10.1016/j.bmcl.2004.09.084
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 5.5 mm 10.1007/s00044-008-9110-7
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 7.0 mm 10.1016/j.bmc.2016.01.041
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 8.0 mm 10.1016/j.bmc.2016.01.041
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 10.0 mm 10.1016/j.bmc.2016.01.041
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 2.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 3.1 ug.mL-1 10.1016/j.bmc.2018.05.015
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 4.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 8.0 ug.mL-1 10.1016/j.bmc.2008.04.011
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 8.0 ug.mL-1 10.1016/j.ejmech.2022.114438
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 32.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 64.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 500000.0 nM 10.1016/j.ejmech.2012.01.060
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 500000.0 nM 10.1016/j.ejmech.2020.112268
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC nan None 10.1016/j.ejmech.2013.03.012
Pseudomonas putida Pseudomonas putida IZ 18.0 mm 10.1007/s00044-009-9214-8
Rattus norvegicus Aldose reductase IC50 nan None None
Rattus norvegicus Aldose reductase Ki nan None None
Rattus norvegicus Alpha-1a adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1a adrenergic receptor Ki nan None None
Rattus norvegicus Alpha-1b adrenergic receptor IC50 nan None None
Rattus norvegicus Alpha-1b adrenergic receptor Ki nan None None
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Androgen Receptor IC50 nan None None
Rattus norvegicus Androgen Receptor Ki nan None None
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Endothelin receptor ET-A IC50 4000.0 nM 10.1021/jm00004a012
Rattus norvegicus Endothelin receptor ET-A IC50 4000.0 nM 10.1021/jm00008a013
Rattus norvegicus Endothelin receptor ET-A IC50 333000.0 nM 10.1016/j.bmcl.2016.06.014
Rattus norvegicus Endothelin receptor ET-A IC50 333000.0 nM 10.1016/s0960-894x(00)00366-8
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 Glycine receptor IC50 nan None None
Rattus norvegicus Glycine receptor Ki nan None None
Rattus norvegicus Insulin receptor IC50 nan None None
Rattus norvegicus Insulin receptor Ki nan None None
Rattus norvegicus Nitric-oxide synthase, brain IC50 nan None None
Rattus norvegicus Nitric-oxide synthase, brain Ki nan None None
Rattus norvegicus Plasma Fu 0.23 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus ALB 40500.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 41300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 42300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALB 43800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 272.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 298.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 359.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 372.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 381.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALP 415.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 45.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 52.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 53.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 56.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus ALT 59.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 82.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 88.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 89.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 91.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus AST 97.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASO 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BASOLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BILI 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 150.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 153.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 160.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus BUN 170.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.0 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 101.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 102.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 103.33 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 104.17 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHLORIDE 107.5 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 688.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 730.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 733.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 770.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 796.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CHOL 823.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 146.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 249.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 285.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 356.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 410.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CK 1048.33 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 21000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 25670000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26000000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 26330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CO2 29330000.0 nM 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 1.9 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.1 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus CREAT 2.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Drug release nan None 10.1021/jm00085a012
Rattus norvegicus Rattus norvegicus EOS 0.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 24.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 102.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 122.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 124.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOS 130.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.17 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 0.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus EOSLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1413.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1483.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1490.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1491.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1496.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus GLUC 1703.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 29.8 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.4 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.47 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 33.93 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 34.63 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HCT 35.72 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 121300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 129300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 131200.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 134700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 135300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus HGB 139300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 128.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 168.5 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 184.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 263.83 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 358.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LDH 488.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 9.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.17 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 10.67 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LIPASE 12.0 U.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 8816.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 11134.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12097.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12632.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 12758.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYM 14525.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 88.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 89.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus LYMLE 94.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.63 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.8 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 24.83 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 25.37 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCH 26.43 pg 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 387300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 390700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 391800.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 396700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCHC 407700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.6 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 62.97 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 63.25 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.1 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.87 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MCV 64.9 fL 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 47.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 56.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 68.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 88.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 141.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONO 197.17 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 0.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus MONOLE 1.33 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 5.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.5 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 8.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.67 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 9.83 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTLE 10.0 % 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 985.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1019.67 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1235.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1237.33 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1259.5 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus NEUTSG 1331.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 102.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 122.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 124.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 125.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 126.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PHOS 129.2 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1053000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1090330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1204000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1215330.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1220000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PLAT 1313170.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.38 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.55 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.58 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.6 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 6.92 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus POTASSIUM 7.09 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 58300.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 59700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 60700.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus PROT 63000.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 4620000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5250000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5300000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5340000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5430000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBC 5680000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus RBCNUC 0.0 /100WBC 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 143.27 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 144.22 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 145.43 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 147.2 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 148.37 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus SODIUM 150.07 mEq.L-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus Tissue Severity Score nan None 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 10.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 12.0 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 15.8 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 16.3 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus URATE 17.7 ug.mL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 10000.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 12450.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 13600.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14130.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 14320.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Rattus norvegicus WBC 15630.0 cells.uL-1 10.6019/CHEMBL3885881
Rattus norvegicus Serotonin 1a (5-HT1a) receptor IC50 nan None None
Rattus norvegicus Serotonin 1a (5-HT1a) receptor Ki nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor IC50 nan None None
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Ki nan None None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Voltage-gated N-type calcium channel alpha-1B subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Salmonella enterica Salmonella enterica MIC 512.0 ug.mL-1 10.1128/aac.00310-09
Salmonella enterica subsp. enterica serovar Enteritidis Salmonella enteritidis IZ 7.4 mm 10.1007/s00044-008-9110-7
Salmonella enterica subsp. enterica serovar Enteritidis Salmonella enteritidis IZ 15.0 mm 10.1016/j.bmcl.2006.11.001
Salmonella enterica subsp. enterica serovar Enteritidis Salmonella enteritidis IZ 18.0 mm 10.1016/j.bmcl.2006.11.001
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi DIZ nan None 10.1016/j.ejmech.2013.03.012
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi IZ 17.0 mm 10.1007/s00044-012-0039-5
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi MIC 160000.0 nM 10.1016/j.ejmech.2013.03.012
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium IZ 11.0 mm 10.1016/j.ejmech.2009.07.023
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium IZ 17.0 mm 10.1007/s00044-009-9214-8
Serratia marcescens Serratia marcescens Activity nan None 10.1016/j.bmc.2014.03.044
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 31.05 % 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 18.96 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.06615 None 10.1101/2020.04.03.023846
Shigella boydii Shigella boydii IZ 19.0 mm 10.1007/s00044-009-9214-8
Shigella boydii Shigella boydii IZ 20.0 mm 10.1007/s00044-009-9214-8
Shigella dysenteriae Shigella dysenteriae MIC 2.5 ug.mL-1 10.1016/j.ejmech.2018.12.017
Staphylococcus aureus Staphylococcus aureus DIZ nan None 10.1016/j.ejmech.2013.03.012
Staphylococcus aureus Staphylococcus aureus FIC 0.06 None 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus FIC 0.12 None 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus Inhibition -14.52 % 10.6019/CHEMBL4513141
Staphylococcus aureus Staphylococcus aureus Inhibition 19.5 mm 10.1016/j.bmcl.2004.09.084
Staphylococcus aureus Staphylococcus aureus Inhibition 20.5 mm 10.1016/j.bmcl.2004.09.084
Staphylococcus aureus Staphylococcus aureus Inhibition 21.0 mm 10.1016/j.bmcl.2004.09.084
Staphylococcus aureus Staphylococcus aureus IZ 6.0 mm 10.1016/j.bmc.2016.01.041
Staphylococcus aureus Staphylococcus aureus IZ 8.0 mm 10.1016/j.bmc.2016.01.041
Staphylococcus aureus Staphylococcus aureus IZ 9.0 mm 10.1016/j.bmc.2016.01.041
Staphylococcus aureus Staphylococcus aureus IZ 24.0 mm 10.1007/s00044-009-9214-8
Staphylococcus aureus Staphylococcus aureus IZ 24.0 mm 10.1007/s00044-012-0039-5
Staphylococcus aureus Staphylococcus aureus IZ nan None 10.1007/s00044-008-9110-7
Staphylococcus aureus Staphylococcus aureus MIC 0.08 ug.mL-1 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus MIC 0.16 ug.mL-1 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus MIC 0.31 ug.mL-1 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.bmc.2008.04.011
Staphylococcus aureus Staphylococcus aureus MIC 2.5 ug.mL-1 10.1016/j.ejmech.2018.12.017
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1007/s00044-010-9474-3
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1016/j.bmc.2008.04.011
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Staphylococcus aureus Staphylococcus aureus MIC 4.75 ug.mL-1 10.1128/aac.00064-10
Staphylococcus aureus Staphylococcus aureus MIC 6.2 ug.mL-1 10.1016/j.bmc.2018.05.015
Staphylococcus aureus Staphylococcus aureus MIC 8.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1016/j.ejmech.2020.113134
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1016/j.ejmech.2022.114438
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1016/j.bmcl.2022.128695
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Staphylococcus aureus Staphylococcus aureus MIC 100.0 ug.mL-1 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus MIC 128.0 ug.mL-1 10.1016/j.ejmech.2022.114188
Staphylococcus aureus Staphylococcus aureus MIC 200.0 ug.mL-1 10.1016/j.bmc.2018.05.019
Staphylococcus aureus Staphylococcus aureus MIC 62500.0 nM 10.1016/j.ejmech.2012.01.060
Staphylococcus aureus Staphylococcus aureus MIC 160000.0 nM 10.1016/j.ejmech.2013.03.012
Staphylococcus aureus Staphylococcus aureus MIC 250000.0 nM 10.1016/j.ejmech.2012.01.060
Staphylococcus aureus Staphylococcus aureus MIC 500000.0 nM 10.1016/j.ejmech.2012.01.060
Staphylococcus aureus Staphylococcus aureus MIC 2400000.0 nM 10.1021/jm500039e
Staphylococcus epidermidis Staphylococcus epidermidis MIC 4.0 ug.mL-1 10.1007/s00044-010-9474-3
Staphylococcus epidermidis Staphylococcus epidermidis MIC 250000.0 nM 10.1016/j.ejmech.2012.01.060
Staphylococcus epidermidis Staphylococcus epidermidis MIC 500000.0 nM 10.1016/j.ejmech.2012.01.060
Staphylococcus lugdunensis Staphylococcus lugdunensis MIC 304.0 ug.mL-1 10.1128/aac.01052-06
Staphylococcus saprophyticus Staphylococcus saprophyticus Activity 12.0 % 10.1016/j.bmcl.2016.06.081
Staphylococcus saprophyticus Staphylococcus saprophyticus IZ 16.0 mm 10.1016/j.bmcl.2016.06.081
Staphylococcus saprophyticus Staphylococcus saprophyticus MIC 2048.0 ug.mL-1 10.1016/j.bmcl.2016.06.081
Staphylococcus saprophyticus Staphylococcus saprophyticus MIC 4096.0 ug.mL-1 10.1016/j.bmcl.2016.06.081
Sus scrofa Endothelin receptor ET-B IC50 nan nM 10.1016/s0960-894x(00)00366-8
Trypanosoma brucei 6-phospho-1-fructokinase IC50 57000.0 nM 10.1021/ml400259d
Yersinia enterocolitica Yersinia enterocolitica IZ nan None 10.1007/s00044-008-9110-7
None ADMET CL 0.213 uL/min 10.1124/dmd.111.039180
None ADMET CL 0.36 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET CL 3.0 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 3.0 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL nan None 10.1124/dmd.111.039180
None ADMET delta logD 0.83 None 10.1021/jm0000564
None ADMET Drug metabolism nan None 10.1016/j.bmcl.2016.06.081
None ADMET F 80.0 % 10.1021/jm0000564
None ADMET -Log alpha -2.51 None 10.1021/jm00361a014
None ADMET MRT 14.0 hr 10.1124/dmd.108.020479
None ADMET PPB 9.0 % 10.1021/acs.jmedchem.0c01372
None ADMET PPB 9.0 % 10.1021/acs.jmedchem.2c00972
None ADMET PPB 57.0 % 10.1021/acs.jmedchem.0c01372
None ADMET PPB 57.0 % 10.1021/acs.jmedchem.2c00972
None ADMET PPB 68.0 % 10.1021/acs.jmedchem.8b01578
None ADMET T1/2 9.8 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.3 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity DILI positive/negative 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity LTKB_BD DILI severity score 7.0 None 10.1016/j.drudis.2011.05.007
None NON-PROTEIN TARGET Fu 0.23 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Inhibition 8.5 mm 10.1016/j.bmcl.2004.09.084
None NON-PROTEIN TARGET Inhibition 9.0 mm 10.1016/j.bmcl.2004.09.084
None NON-PROTEIN TARGET Inhibition 12.5 mm 10.1016/j.bmcl.2004.09.084
None NON-PROTEIN TARGET Potency 1.7 nM None
None NON-PROTEIN TARGET Potency 1.9 nM None
None NON-PROTEIN TARGET Potency 5.3 nM None
None NON-PROTEIN TARGET Potency 26.6 nM None
None NON-PROTEIN TARGET Potency 167.7 nM None
None NON-PROTEIN TARGET Potency 840.7 nM None
None NON-PROTEIN TARGET Potency 9432.9 nM None
None No relevant target IC50 54149.0 nM None
None No relevant target log1/S0 2.87 None 10.1016/j.ejmech.2007.04.009
None No relevant target LogD 0.11 None 10.1021/jm0000564
None No relevant target LogD7.4 -0.56 None 10.6019/CHEMBL3301361
None No relevant target Log K 0.581 None 10.1021/jm00361a014
None No relevant target LogP 1.75 None 10.1016/j.ejmech.2007.04.009
None No relevant target pKa 5.8 None 10.1021/jm0000564
None No relevant target pKa 6.05 None 10.1021/jm00361a014
None No relevant target Solubility 550.0 ug.mL-1 10.1021/ml5001504
None Phospholipidosis Phospholipidosis nan None 10.1021/mp100103e
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Ac50 2.818 uM None
None Unchecked Ac50 5.012 uM None
None Unchecked AC50 2818.4 nM None
None Unchecked AC50 5011.9 nM None
None Unchecked IC50 29167.0 nM None
None Unchecked IC50 36211.0 nM None
None Unchecked IC50 94317.0 nM None
None Unchecked IC50 140000.0 nM 10.1016/j.ejmech.2020.112268
None Unchecked IC50 nan None None
None Unchecked Ki nan None None
None Unchecked Potency 39810.7 nM None
None Unchecked Ratio 5.2 None 10.1016/j.ejmech.2012.01.060
None Unchecked Ratio 163.9 None 10.1016/j.ejmech.2012.01.060

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT004396 CC(=O)[32S].Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1>>CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 None
AKRT004595 CC(=O)[CoA].Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1>>CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1 enzymemap_31155
AKRT014956 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.N=c1[nH]c2c(c(=O)[nH]1)N=C(COP(=O)(O)OP(=O)(O)O)CN2>>Cc1cc(NS(=O)(=O)c2ccc(NCC3=Nc4c([nH]c(=N)[nH]c4=O)NC3)cc2)no1 enzymemap_40080
AKRT014957 Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1.Nc1nc2c(c(=O)[nH]1)N=C(COP(=O)(O)OP(=O)(O)O)CN2>>Cc1cc(NS(=O)(=O)c2ccc(NCC3=Nc4c(nc(N)[nH]c4=O)NC3)cc2)no1 enzymemap_40080
AKRT014959 Cc1cc(NS(=O)(=O)c2ccc(NO)cc2)no1>>Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1 enzymemap_24270