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name Structure Reference Source Properties Activities Metabolism

Cefixime

AlkaPlorer ID: AK024870

Synonym: 'SMR001307271', 'Cefixime', 'MLS002222332'

IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(carboxymethoxyimino)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Structure

SMILES: C=CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)O)C3=CSC(N)=N3)[C@H]2SC1

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InChI: InChI=1S/C16H15N5O7S2/c1-2-6-4-29-14-10(13(25)21(14)11(6)15(26)27)19-12(24)9(20-28-3-8(22)23)7-5-30-16(17)18-7/h2,5,10,14H,1,3-4H2,(H2,17,18)(H,19,24)(H,22,23)(H,26,27)/b20-9-/t10-,14-/m1/s1

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InChIKey: OKBVVJOGVLARMR-QSWIMTSFSA-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: 453.45800000000014

TPSA？: 184.51

MolLogP？: -0.5447999999999991

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MBC 75.0 mg/L 10.1007/s00044-011-9933-5
Acinetobacter baumannii Acinetobacter baumannii MBC 82.8 mg/L 10.1007/s00044-011-9933-5
Acinetobacter baumannii Acinetobacter baumannii MBC 87.5 mg/L 10.1007/s00044-011-9933-5
Aspergillus niger Aspergillus niger Activity nan None 10.1007/s00044-012-0343-0
Aspergillus niger Aspergillus niger MIC nan None 10.1007/s00044-012-0343-0
Bacillus cereus Bacillus cereus MIC 3.91 ug.mL-1 10.1016/j.bmcl.2014.05.103
Bacillus spizizenii Bacillus spizizenii IZ 25.0 mm 10.1016/j.ejmech.2014.07.028
Bacillus spizizenii Bacillus spizizenii MIC 60.0 nM 10.1016/j.ejmech.2019.01.062
Bacillus subtilis Bacillus subtilis IZ 2.8 mm 10.1007/s00044-012-0343-0
Bacillus subtilis Bacillus subtilis IZ 26.0 mm 10.1016/j.ejmech.2012.11.046
Bacillus subtilis Bacillus subtilis IZ 28.7 mm 10.1007/s00044-011-9669-2
Bacillus subtilis Bacillus subtilis MIC 1.95 ug.mL-1 10.1016/j.bmcl.2014.05.103
Bacillus subtilis Bacillus subtilis MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Bacillus subtilis Bacillus subtilis MIC 4.0 ug.mL-1 10.1007/s00044-012-0343-0
Bordetella bronchiseptica Bordetella bronchiseptica IZ 13.0 mm 10.1016/j.ejmech.2014.07.028
Bordetella bronchiseptica Bordetella bronchiseptica IZ 38.5 mm 10.1016/j.ejmech.2011.11.014
Candida albicans Candida albicans Activity nan None 10.1007/s00044-012-0343-0
Candida albicans Candida albicans MIC 3260.0 nM 10.1016/j.ejmech.2019.06.046
Candida albicans Candida albicans MIC nan None 10.1007/s00044-012-0343-0
Candida tropicalis Candida tropicalis MIC 26120.0 nM 10.1016/j.ejmech.2019.06.046
Enterococcus faecalis Enterococcus faecalis MIC 27.92 ug.mL-1 10.1016/j.ejmech.2010.09.049
Enterococcus faecalis Enterococcus faecalis MIC 28.56 ug.mL-1 10.1016/j.ejmech.2011.02.051
Enterococcus faecalis Enterococcus faecalis MIC 31.25 ug.mL-1 10.1016/j.ejmech.2010.02.006
Escherichia coli Escherichia coli IZ 14.0 mm 10.1007/s00044-012-0343-0
Escherichia coli Escherichia coli IZ 14.1 mm 10.1016/j.ejmech.2012.11.046
Escherichia coli Escherichia coli IZ 24.0 mm 10.1016/j.ejmech.2014.07.028
Escherichia coli Escherichia coli IZ 30.0 mm 10.1007/s00044-011-9669-2
Escherichia coli Escherichia coli IZ 40.5 mm 10.1016/j.ejmech.2011.11.014
Escherichia coli Escherichia coli MBC 12.1 mg/L 10.1007/s00044-011-9933-5
Escherichia coli Escherichia coli MBC 23.1 mg/L 10.1007/s00044-011-9933-5
Escherichia coli Escherichia coli MIC 0.125 ug.mL-1 10.1128/aac.00310-09
Escherichia coli Escherichia coli MIC 0.75 ug.mL-1 10.1016/j.ejmech.2019.01.062
Escherichia coli Escherichia coli MIC 1.96 ug.mL-1 10.1016/j.ejmech.2010.02.006
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1007/s00044-012-0343-0
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Escherichia coli Escherichia coli MIC 2.12 ug.mL-1 10.1016/j.ejmech.2011.02.051
Escherichia coli Escherichia coli MIC 2.34 ug.mL-1 10.1016/j.ejmech.2010.09.049
Escherichia coli Escherichia coli MIC 3.91 ug.mL-1 10.1016/j.bmcl.2014.05.103
Escherichia coli Escherichia coli MIC 3.91 ug.mL-1 10.1016/j.ejmech.2019.111804
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1128/aac.00310-09
Escherichia coli Escherichia coli MIC 50.0 ug.mL-1 10.1007/s00044-012-0270-0
Escherichia coli Escherichia coli MIC 60.0 nM 10.1016/j.ejmech.2019.01.062
Haemophilus influenzae Haemophilus influenzae Activity 0.0 % 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae Activity 1.0 % 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae Activity 99.0 % 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae Activity 100.0 % 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC 0.01 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC 0.03 ug.mL-1 10.1128/aac.00190-07
Haemophilus influenzae Haemophilus influenzae MIC 0.03 ug.mL-1 10.1128/aac.01489-09
Haemophilus influenzae Haemophilus influenzae MIC 0.06 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC 0.06 ug.mL-1 10.1128/aac.01489-09
Haemophilus influenzae Haemophilus influenzae MIC 0.5 ug.mL-1 10.1128/aac.00214-08
Haemophilus influenzae Haemophilus influenzae MIC 0.5 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC50 0.01 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC50 0.023 ug.mL-1 10.1128/aac.00960-06
Haemophilus influenzae Haemophilus influenzae MIC50 0.047 ug.mL-1 10.1128/aac.00960-06
Haemophilus influenzae Haemophilus influenzae MIC50 0.06 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC50 0.064 ug.mL-1 10.1128/aac.00960-06
Haemophilus influenzae Haemophilus influenzae MIC50 1.0 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC90 0.06 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC90 0.064 ug.mL-1 10.1128/aac.00960-06
Haemophilus influenzae Haemophilus influenzae MIC90 0.12 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC90 0.25 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC90 0.75 ug.mL-1 10.1128/aac.00960-06
Haemophilus influenzae Haemophilus influenzae MIC90 4.0 ug.mL-1 10.1128/aac.00354-07
Haemophilus influenzae Haemophilus influenzae MIC90 32.0 ug.mL-1 10.1128/aac.00960-06
Haemophilus influenzae Haemophilus influenzae MIC90 256.0 ug.mL-1 10.1128/aac.00960-06
Homo sapiens Adenosine A1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A2a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 receptor AC50 30000.0 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-2a adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Apoptotic protease-activating factor 1 EC50 9080.0 nM None
Homo sapiens Apoptotic protease-activating factor 1 EC50 100000.0 nM None
Homo sapiens Beta-1 adrenergic receptor AC50 30000.0 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 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 B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 89400.0 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 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 14125.4 nM None
Homo sapiens Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 11917.3 nM None
Homo sapiens DNA polymerase eta Potency 7079.5 nM None
Homo sapiens DNA polymerase eta Potency 19011.5 nM None
Homo sapiens DNA polymerase iota Potency 7519.3 nM None
Homo sapiens DNA polymerase iota Potency 50118.7 nM None
Homo sapiens DNA polymerase kappa Potency 4744.4 nM None
Homo sapiens DNA polymerase kappa Potency 50118.7 nM None
Homo sapiens Dopamine D1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Endothelin receptor ET-A AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Geminin Potency 4.6 nM None
Homo sapiens Ghrelin 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 Glutaminase kidney isoform, mitochondrial Potency 12589.3 nM None
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -31.51 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -0.57 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens CL 0.14 mL.min-1.kg-1 10.1124/dmd.112.049312
Homo sapiens Homo sapiens CL 0.452 mL.min-1.kg-1 10.1124/dmd.112.049312
Homo sapiens Homo sapiens CL 0.6 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 1.0 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 1.0 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.4 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 0.42 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens Cmax 6615.8 nM 10.1128/aac.00198-08
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 4.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens F 50.0 % 10.1128/aac.00198-08
Homo sapiens Homo sapiens Fa 0.5 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.47 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.96 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.97 None 10.1021/jm901371v
Homo sapiens Homo sapiens T1/2 3.1 hr 10.1128/aac.00198-08
Homo sapiens Homo sapiens Vdss 0.24 L.kg-1 10.1016/j.ejmech.2009.06.004
Homo sapiens Homo sapiens Vdss 0.24 L.kg-1 10.1021/jm901371v
Homo sapiens Lethal(3)malignant brain tumor-like protein 1 Potency 31622.8 nM None
Homo sapiens Lysine-specific demethylase 4A Potency 19952.6 nM None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A Activity nan None 10.1021/jm800656v
Homo sapiens Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Muscarinic acetylcholine receptor M1 AC50 30000.0 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 NAD-dependent protein deacylase sirtuin-5, mitochondrial AC50 17860.0 nM None
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 30000.0 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 Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Oligopeptide transporter small intestine isoform Activity nan None 10.2133/dmpk.17.253
Homo sapiens Oligopeptide transporter small intestine isoform IC50 10000000.0 nM 10.1016/s0005-2736(96)00234-9
Homo sapiens Oligopeptide transporter small intestine isoform Inhibition 44.0 % 10.1016/s0005-2736(96)00234-9
Homo sapiens Oligopeptide transporter small intestine isoform Ki 1310000.0 nM None
Homo sapiens Oligopeptide transporter small intestine isoform Ki 12000000.0 nM 10.1016/j.ejpb.2004.07.008
Homo sapiens Oligopeptide transporter small intestine isoform Ki 12000000.0 nM 10.1021/jm048982w
Homo sapiens Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Potency 15848.9 nM None
Homo sapiens Peroxisome proliferator-activated receptor gamma AC50 30000.0 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 Phospholipase C-beta-3 IC50 122481.0 nM None
Homo sapiens Phospholipase C-gamma-1 IC50 1212.0 nM None
Homo sapiens Plasma AUC 9000.0 ng.hr.mL-1 10.1128/aac.01409-08
Homo sapiens Plasma AUC 25000.0 ng.hr.mL-1 10.1128/aac.01409-08
Homo sapiens Plasma PPB 65.0 % 10.1021/ml200012f
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Rap guanine nucleotide exchange factor 3 Potency 70794.6 nM None
Homo sapiens Serine/threonine-protein kinase PLK1 Potency 26679.5 nM None
Homo sapiens Serotonin 1a (5-HT1a) receptor AC50 30000.0 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 2b (5-HT2b) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serum Activity 65.0 % 10.1128/aac.00198-08
Homo sapiens Small ubiquitin-related modifier 1 IC50 1480.0 nM None
Homo sapiens Small ubiquitin-related modifier 1 IC50 66600.0 nM None
Homo sapiens Solute carrier family 15 member 2 Activity 0.54 None 10.1016/s0005-2736(96)00234-9
Homo sapiens Solute carrier family 15 member 2 Ki 2570395.78 nM 10.1016/j.bmc.2011.06.027
Homo sapiens Solute carrier family 15 member 2 Ki 2600000.0 nM 10.1016/j.bmc.2011.06.027
Homo sapiens Solute carrier family 22 member 5 Activity nan None 10.1074/jbc.275.3.1699
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 14125.4 nM None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Werner syndrome ATP-dependent helicase Potency 2993.5 nM None
Klebsiella aerogenes Klebsiella aerogenes IZ 10.0 mm 10.1016/j.ejmech.2014.07.028
Klebsiella aerogenes Klebsiella aerogenes IZ 15.0 mm 10.1007/s00044-012-0343-0
Klebsiella aerogenes Klebsiella aerogenes IZ 15.0 mm 10.1016/j.ejmech.2012.11.046
Klebsiella aerogenes Klebsiella aerogenes IZ 16.1 mm 10.1016/j.ejmech.2011.11.014
Klebsiella aerogenes Klebsiella aerogenes MIC 2.0 ug.mL-1 10.1007/s00044-012-0343-0
Klebsiella aerogenes Klebsiella aerogenes MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Klebsiella aerogenes Klebsiella aerogenes MIC 27.13 ug.mL-1 10.1016/j.ejmech.2011.02.051
Klebsiella aerogenes Klebsiella aerogenes MIC 28.16 ug.mL-1 10.1016/j.ejmech.2010.09.049
Klebsiella aerogenes Klebsiella aerogenes MIC 31.25 ug.mL-1 10.1016/j.ejmech.2010.02.006
Klebsiella pneumoniae Klebsiella pneumoniae Activity 94.78 % 10.1016/j.ejmech.2017.06.065
Klebsiella pneumoniae Klebsiella pneumoniae MBC 20.8 mg/L 10.1007/s00044-011-9933-5
Klebsiella pneumoniae Klebsiella pneumoniae MBC 44.6 mg/L 10.1007/s00044-011-9933-5
Klebsiella pneumoniae Klebsiella pneumoniae MBIC 40.0 ug ml-1 10.1016/j.ejmech.2017.06.065
Klebsiella pneumoniae Klebsiella pneumoniae MIC 40.0 ug.mL-1 10.1016/j.ejmech.2017.06.065
Klebsiella pneumoniae Klebsiella pneumoniae MIC 7880.0 nM 10.1016/j.ejmech.2019.06.046
Micrococcus luteus Micrococcus luteus IZ 34.11 mm 10.1007/s00044-011-9669-2
Micrococcus luteus Micrococcus luteus IZ 38.7 mm 10.1016/j.ejmech.2011.11.014
Neisseria gonorrhoeae Neisseria gonorrhoeae Activity 0.0 % 10.1128/aac.00788-10
Neisseria gonorrhoeae Neisseria gonorrhoeae Activity 100.0 % 10.1128/aac.00788-10
Neisseria gonorrhoeae Neisseria gonorrhoeae CFU 1.01 10'8/ml 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae CFU 10.0 /ml 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.004 ug.mL-1 10.1128/aac.00245-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.004 ug.mL-1 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.008 ug.mL-1 10.1128/aac.00245-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.008 ug.mL-1 10.1128/aac.00406-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.015 ug.mL-1 10.1128/aac.00406-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.016 ug.mL-1 10.1128/aac.00482-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.016 ug.mL-1 10.1128/aac.01604-06
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.031 ug.mL-1 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.032 ug.mL-1 10.1128/aac.00245-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.047 ug.mL-1 10.1128/aac.01604-06
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.064 ug.mL-1 10.1128/aac.00245-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.064 ug.mL-1 10.1128/aac.01604-06
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.094 ug.mL-1 10.1128/aac.01604-06
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.125 ug.mL-1 10.1128/aac.00198-08
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.125 ug.mL-1 10.1128/aac.00406-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.125 ug.mL-1 10.1128/aac.00482-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.125 ug.mL-1 10.1128/aac.00788-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.25 ug.mL-1 10.1128/aac.00198-08
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.25 ug.mL-1 10.1128/aac.00245-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.25 ug.mL-1 10.1128/aac.00406-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.25 ug.mL-1 10.1128/aac.00788-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.25 ug.mL-1 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.25 ug.mL-1 10.1128/aac.01604-06
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.38 ug.mL-1 10.1128/aac.01604-06
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 0.5 ug.mL-1 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC 1.0 ug.mL-1 10.1128/aac.01010-09
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC50 0.03 ug.mL-1 10.1128/aac.00788-10
Neisseria gonorrhoeae Neisseria gonorrhoeae MIC90 0.03 ug.mL-1 10.1128/aac.00788-10
Priestia megaterium Priestia megaterium MIC 126.32 ug.mL-1 10.1016/j.ejmech.2011.02.051
Priestia megaterium Priestia megaterium MIC 127.76 ug.mL-1 10.1016/j.ejmech.2010.09.049
Priestia megaterium Priestia megaterium MIC nan None 10.1016/j.ejmech.2010.02.006
Proteus mirabilis Proteus mirabilis Activity 72.6 % 10.1016/j.ejmech.2017.06.065
Proteus mirabilis Proteus mirabilis IZ 20.0 mm 10.1016/j.ejmech.2012.11.046
Proteus mirabilis Proteus mirabilis MBC nan None 10.1016/j.ejmech.2017.06.065
Proteus mirabilis Proteus mirabilis MBIC 40.0 ug ml-1 10.1016/j.ejmech.2017.06.065
Proteus mirabilis Proteus mirabilis MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Proteus mirabilis Proteus mirabilis MIC 40.0 ug.mL-1 10.1016/j.ejmech.2017.06.065
Proteus vulgaris Proteus vulgaris MIC 3.91 ug.mL-1 10.1016/j.ejmech.2019.111804
Proteus vulgaris Proteus vulgaris MIC 7.81 ug.mL-1 10.1016/j.bmcl.2014.05.103
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 10.0 mm 10.1016/j.ejmech.2012.11.046
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 17.78 mm 10.1007/s00044-011-9669-2
Pseudomonas aeruginosa Pseudomonas aeruginosa MBC 20.0 mg/L 10.1007/s00044-011-9933-5
Pseudomonas aeruginosa Pseudomonas aeruginosa MBC 96.9 mg/L 10.1007/s00044-011-9933-5
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 0.5 ug.mL-1 10.1016/j.ejmech.2019.01.062
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 3.125 ug.mL-1 10.1016/j.ejmech.2019.111804
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 3.91 ug.mL-1 10.1016/j.bmcl.2014.05.103
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 16.43 ug.mL-1 10.1016/j.ejmech.2011.02.051
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 17.23 ug.mL-1 10.1016/j.ejmech.2010.09.049
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 19.54 ug.mL-1 10.1016/j.ejmech.2010.02.006
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 60.0 nM 10.1016/j.ejmech.2019.01.062
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 400.0 ug.mL-1 10.1007/s00044-012-0270-0
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Oligopeptide transporter, kidney isoform IC50 3200000.0 nM 10.1016/s0005-2736(96)00234-9
Rattus norvegicus Oligopeptide transporter, kidney isoform Ki 2600000.0 nM 10.1016/j.ejpb.2004.07.008
Rattus norvegicus Oligopeptide transporter, kidney isoform Ki 11900000.0 nM 10.1152/ajprenal.1997.273.5.f706
Rattus norvegicus Plasma Fu 0.31 None 10.1021/jm901371v
Rattus norvegicus Plasma logFu 0.33 None 10.1016/j.ejmech.2009.06.004
Rattus norvegicus Rattus norvegicus CL 1.0 mL.min-1.kg-1 10.1124/dmd.112.049312
Rattus norvegicus Rattus norvegicus CL 7.143 mL.min-1.kg-1 10.1124/dmd.112.049312
Rattus norvegicus Solute carrier family 15 member 1 Activity nan None 10.1111/j.2042-7158.1997.tb06115.x
Rattus norvegicus Solute carrier family 15 member 1 Activity nan None None
Rattus norvegicus Solute carrier family 15 member 1 Ki 6920000.0 nM 10.1152/ajprenal.1997.273.5.f706
Saccharomyces cerevisiae Saccharomyces cerevisiae Activity nan None 10.1007/s00044-012-0343-0
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC nan None 10.1007/s00044-012-0343-0
Salmonella enterica Salmonella enterica MIC 8.0 ug.mL-1 10.1128/aac.00310-09
Salmonella enterica subsp. enterica serovar Typhi Salmonella typhi IZ 34.3 mm 10.1016/j.ejmech.2011.11.014
Salmonella enterica subsp. enterica serovar Typhimurium Salmonella typhimurium IZ 26.0 mm 10.1016/j.ejmech.2014.07.028
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -61.64 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 3.541 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1035 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 -2.21 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.18 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.03 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.01696 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Activity 73.5 % 10.1016/j.ejmech.2017.06.065
Staphylococcus aureus Staphylococcus aureus IZ 2.9 mm 10.1007/s00044-012-0343-0
Staphylococcus aureus Staphylococcus aureus IZ 3.9 mm 10.1016/j.ejmech.2012.11.046
Staphylococcus aureus Staphylococcus aureus IZ 26.0 mm 10.1016/j.ejmech.2014.07.028
Staphylococcus aureus Staphylococcus aureus IZ 36.12 mm 10.1007/s00044-011-9669-2
Staphylococcus aureus Staphylococcus aureus IZ 39.1 mm 10.1016/j.ejmech.2011.11.014
Staphylococcus aureus Staphylococcus aureus MBC 33.1 mg/L 10.1007/s00044-011-9933-5
Staphylococcus aureus Staphylococcus aureus MBC 45.2 mg/L 10.1007/s00044-011-9933-5
Staphylococcus aureus Staphylococcus aureus MBC nan None 10.1016/j.ejmech.2017.06.065
Staphylococcus aureus Staphylococcus aureus MBIC 82.0 ug ml-1 10.1016/j.ejmech.2017.06.065
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1007/s00044-012-0343-0
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Staphylococcus aureus Staphylococcus aureus MIC 7.81 ug.mL-1 10.1016/j.bmcl.2014.05.103
Staphylococcus aureus Staphylococcus aureus MIC 31.25 ug.mL-1 10.1016/j.ejmech.2010.02.006
Staphylococcus aureus Staphylococcus aureus MIC 33.87 ug.mL-1 10.1016/j.ejmech.2010.09.049
Staphylococcus aureus Staphylococcus aureus MIC 34.64 ug.mL-1 10.1016/j.ejmech.2011.02.051
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1007/s00044-012-0270-0
Staphylococcus aureus Staphylococcus aureus MIC 82.0 ug.mL-1 10.1016/j.ejmech.2017.06.065
Staphylococcus aureus Staphylococcus aureus MIC 3940.0 nM 10.1016/j.ejmech.2019.06.046
Staphylococcus aureus Staphylococcus aureus MIC 7880.0 nM 10.1016/j.ejmech.2019.06.046
Staphylococcus epidermidis Staphylococcus epidermidis IZ 22.0 mm 10.1016/j.ejmech.2012.11.046
Staphylococcus epidermidis Staphylococcus epidermidis MBC 28.7 mg/L 10.1007/s00044-011-9933-5
Staphylococcus epidermidis Staphylococcus epidermidis MIC 2.0 ug.mL-1 10.1016/j.ejmech.2012.11.046
Staphylococcus epidermidis Staphylococcus epidermidis MIC 400.0 ug.mL-1 10.1007/s00044-012-0270-0
Staphylococcus saprophyticus Staphylococcus saprophyticus MBC 24.5 mg/L 10.1007/s00044-011-9933-5
Streptococcus mutans Streptococcus mutans Activity 96.06 % 10.1016/j.ejmech.2017.06.065
Streptococcus mutans Streptococcus mutans MBC nan None 10.1016/j.ejmech.2017.06.065
Streptococcus mutans Streptococcus mutans MBIC 40.0 ug ml-1 10.1016/j.ejmech.2017.06.065
Streptococcus mutans Streptococcus mutans MIC 40.0 ug.mL-1 10.1016/j.ejmech.2017.06.065
Streptococcus pyogenes Streptococcus pyogenes MIC 0.25 ug.mL-1 10.1016/j.ejmech.2019.01.062
Streptococcus sp. 'group B' Streptococcus sp. 'group B' MIC 0.5 ug.mL-1 10.1128/aac.00596-08
Streptococcus sp. 'group B' Streptococcus sp. 'group B' MIC 1.0 ug.mL-1 10.1128/aac.00596-08
Trypanosoma brucei 6-phospho-1-fructokinase Potency 2685.5 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 4256.2 nM None
Trypanosoma brucei 6-phospho-1-fructokinase Potency 10691.0 nM None
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 2818.4 nM None
Trypanosoma brucei brucei (strain 927/4 GUTat10.1) Phosphoglycerate kinase Potency 4105.2 nM None
None ADMET AUC 840.0 ng.hr.mL-1 10.1128/aac.01409-08
None ADMET AUC 7300.0 ng.hr.mL-1 10.1128/aac.01409-08
None ADMET CL 1.0 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Drug excretion 11.0 % 10.1124/dmd.112.049312
None ADMET Drug excretion 41.0 % 10.1124/dmd.112.049312
None ADMET MRT 3.9 hr 10.1124/dmd.108.020479
None ADMET T1/2 3.2 hr 10.1124/dmd.108.020479
None ADMET Vdss 0.24 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 13.7 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 0.0 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 1.0 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 3.0 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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 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 Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 0.1 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 0.4 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 0.4 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET Fu 0.31 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET Hepatotoxicity (acute) 0.0 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (animal toxicity known) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (benign tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (granulomatous hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (mechanism) nan None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 33.3 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 37.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (time to onset) nan None 10.1016/s0399-8320(04)95062-2
None No relevant target pKa 2.1 None 10.1016/j.ejmech.2009.06.004
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked EC50 100000.0 nM None
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 759.02 nM None
None Unchecked IC50 2892.0 nM None
None Unchecked Potency 11220.2 nM None

Metabolism Information