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name Structure Reference Source Properties Activities Metabolism

7-[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-(N-hydroxyimino)acetamido]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

AlkaPlorer ID: AK032716

Synonym: None

IUPAC Name: (6R,7R)-7-[[(2E)-2-(2-amino-1,3-thiazol-4-yl)-2-hydroxyiminoacetyl]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\O)C3=CSC(N)=N3)[C@H]2SC1

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InChI: InChI=1S/C14H13N5O5S2/c1-2-5-3-25-12-8(11(21)19(12)9(5)13(22)23)17-10(20)7(18-24)6-4-26-14(15)16-6/h2,4,8,12,24H,1,3H2,(H2,15,16)(H,17,20)(H,22,23)/b18-7-/t8-,12-/m1/s1

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InChIKey: RTXOFQZKPXMALH-GHXIOONMSA-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: 395.4220000000001

TPSA？: 158.21000000000004

MolLogP？: -0.1717999999999988

Number of H-Donors: 4

Number of H-Acceptors: 9

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 10000.0 nM 10.6019/CHEMBL4513141
Caenorhabditis elegans Cytoplasmic zinc-finger protein EC50 49794.0 nM None
Caenorhabditis elegans Zinc finger protein mex-5 EC50 33257.0 nM None
Candida albicans Candida albicans MIC 10000.0 nM 10.6019/CHEMBL4513141
Citrobacter freundii Citrobacter freundii MIC 8.0 ug.mL-1 10.1021/jm950886v
Cryptococcus neoformans Cryptococcus neoformans MIC 10000.0 nM 10.6019/CHEMBL4513141
Enterobacter cloacae Enterobacter cloacae MIC 0.78 ug.mL-1 10.1016/S0960-894X(01)80929-X
Enterobacter cloacae Enterobacter cloacae MIC 16.0 ug.mL-1 10.1021/jm950886v
Enterobacteriaceae Enterobacteriaceae Activity 0.0 % 10.1128/aac.01519-08
Enterobacteriaceae Enterobacteriaceae MIC50 4.0 ug.mL-1 10.1128/aac.01519-08
Enterobacteriaceae Enterobacteriaceae MIC50 16.0 ug.mL-1 10.1128/aac.01519-08
Enterobacteriaceae Enterobacteriaceae MIC90 16.0 ug.mL-1 10.1128/aac.01519-08
Enterococcus faecalis Enterococcus faecalis MIC 16.0 ug.mL-1 10.1021/jm950886v
Enterococcus hirae Enterococcus hirae MIC 100.0 ug.mL-1 10.1016/S0960-894X(01)80929-X
Escherichia coli Escherichia coli MIC 0.031 ug.mL-1 10.1016/s0960-894x(00)00425-x
Escherichia coli Escherichia coli MIC 0.25 ug.mL-1 10.1021/jm950886v
Escherichia coli Escherichia coli MIC 0.39 ug.mL-1 10.1016/S0960-894X(01)80929-X
Escherichia coli Escherichia coli MIC 2500.0 nM 10.6019/CHEMBL4513141
Haemophilus influenzae Haemophilus influenzae Activity 33.3 % 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae Activity 40.0 % 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae Activity 52.3 % 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae Activity 57.0 % 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae Activity 94.0 % 10.1128/aac.00971-07
Haemophilus influenzae Haemophilus influenzae Activity 94.4 % 10.1128/aac.00971-07
Haemophilus influenzae Haemophilus influenzae Activity 94.8 % 10.1128/aac.00971-07
Haemophilus influenzae Haemophilus influenzae MIC 0.12 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC 0.25 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC 0.25 ug.mL-1 10.1128/aac.00936-07
Haemophilus influenzae Haemophilus influenzae MIC 0.25 ug.mL-1 10.1128/aac.01545-06
Haemophilus influenzae Haemophilus influenzae MIC 0.39 ug.mL-1 10.1016/S0960-894X(01)80929-X
Haemophilus influenzae Haemophilus influenzae MIC 0.5 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC 1.0 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC 1.0 ug.mL-1 10.1128/aac.00936-07
Haemophilus influenzae Haemophilus influenzae MIC 1.0 ug.mL-1 10.1128/aac.01545-06
Haemophilus influenzae Haemophilus influenzae MIC 2.0 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC 2.0 ug.mL-1 10.1128/aac.00936-07
Haemophilus influenzae Haemophilus influenzae MIC 2.0 ug.mL-1 10.1128/aac.01545-06
Haemophilus influenzae Haemophilus influenzae MIC 8.0 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC 8.0 ug.mL-1 10.1128/aac.01545-06
Haemophilus influenzae Haemophilus influenzae MIC 16.0 ug.mL-1 10.1128/aac.01545-06
Haemophilus influenzae Haemophilus influenzae MIC50 0.25 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC50 0.25 ug.mL-1 10.1128/aac.00971-07
Haemophilus influenzae Haemophilus influenzae MIC50 0.5 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC50 0.5 ug.mL-1 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae MIC50 1.0 ug.mL-1 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae MIC50 2.0 ug.mL-1 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae MIC50 8.0 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC90 0.5 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC90 2.0 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC90 4.0 ug.mL-1 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae MIC90 8.0 ug.mL-1 10.1128/aac.00402-08
Haemophilus influenzae Haemophilus influenzae MIC90 32.0 ug.mL-1 10.1128/aac.00054-10
Haemophilus influenzae Haemophilus influenzae MIC90 94.4 ug.mL-1 10.1128/aac.00971-07
Haemophilus influenzae Haemophilus influenzae MIC90 94.8 ug.mL-1 10.1128/aac.00971-07
Haemophilus influenzae Haemophilus influenzae MIC90 95.0 ug.mL-1 10.1128/aac.00971-07
Haemophilus parainfluenzae Haemophilus parainfluenzae MIC 0.12 ug.mL-1 10.1128/aac.01545-06
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 10000.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2b adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Alpha-2c adrenergic receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens 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 AC50 300000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 133000.0 nM 10.1093/toxsci/kft176
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 15779.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 IC50 4480.0 nM None
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 Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens DNA polymerase eta Potency 84921.4 nM None
Homo sapiens DNA polymerase eta Potency 89125.1 nM None
Homo sapiens DNA polymerase iota Potency 56234.1 nM None
Homo sapiens DNA polymerase kappa Potency 79432.8 nM None
Homo sapiens Dopamine D1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine D3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Dopamine transporter AC50 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 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 25118.9 nM None
Homo sapiens HEK293 CC50 10000.0 nM 10.6019/CHEMBL4513141
Homo sapiens HepG2 LD50 100.0 ug ml-1 10.1021/acs.jmedchem.5b01833
Homo sapiens HERG AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -5.05 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition 13.3 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 7.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Kappa opioid receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Low molecular weight phosphotyrosine protein phosphatase IC50 19600.0 nM None
Homo sapiens Low molecular weight phosphotyrosine protein phosphatase IC50 21500.0 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 Melanocortin receptor 4 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Monoamine oxidase A AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Motilin receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Multidrug resistance-associated protein 4 IC50 11600.0 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 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M2 AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuropeptide Y receptor type 1 AC50 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 Inhibition 31.0 % 10.1016/s0005-2736(96)00234-9
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Pregnane X receptor AC50 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 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 2b (5-HT2b) receptor AC50 10000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 2c (5-HT2c) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin 3a (5-HT3a) receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Serotonin transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Small ubiquitin-related modifier 1 IC50 6250.0 nM None
Homo sapiens Small ubiquitin-related modifier 1 IC50 66600.0 nM None
Homo sapiens Solute carrier family 15 member 2 Activity 0.48 None 10.1016/s0005-2736(96)00234-9
Homo sapiens Solute carrier family 22 member 5 Activity nan None 10.1074/jbc.275.3.1699
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 92.13 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 78.64 % 10.1124/mol.112.084152
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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
Klebsiella aerogenes Klebsiella aerogenes MIC 1.56 ug.mL-1 10.1016/S0960-894X(01)80929-X
Klebsiella pneumoniae Klebsiella pneumoniae MIC 0.1 ug.mL-1 10.1016/S0960-894X(01)80929-X
Klebsiella pneumoniae Klebsiella pneumoniae MIC 0.13 ug.mL-1 10.1016/s0960-894x(00)00425-x
Klebsiella pneumoniae Klebsiella pneumoniae MIC 10000.0 nM 10.6019/CHEMBL4513141
Micrococcus luteus Micrococcus luteus MIC 0.05 ug.mL-1 10.1016/S0960-894X(01)80929-X
Moraxella catarrhalis Moraxella catarrhalis MIC 0.2 ug.mL-1 10.1016/S0960-894X(01)80929-X
Moraxella catarrhalis Moraxella catarrhalis MIC50 0.25 ug.mL-1 10.1128/aac.00971-07
Moraxella catarrhalis Moraxella catarrhalis MIC90 0.5 ug.mL-1 10.1128/aac.00971-07
Morganella morganii Morganella morganii MIC 6.25 ug.mL-1 10.1016/S0960-894X(01)80929-X
Mus musculus Mus musculus AUC 10000.0 ng.hr.mL-1 10.1016/S0960-894X(01)80929-X
Mus musculus Mus musculus Cmax 6322.39 nM 10.1016/S0960-894X(01)80929-X
Mus musculus Mus musculus T1/2 0.6 hr 10.1016/S0960-894X(01)80929-X
Mus musculus Mus musculus Tmax 1.0 hr 10.1016/S0960-894X(01)80929-X
Mus musculus Mus musculus UR 10.0 % 10.1016/S0960-894X(01)80929-X
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 4.11 ug.mL-1 10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 77.84 ug.mL-1 10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 100.0 ug.mL-1 10.1021/acs.jmedchem.5b01833
Proteus mirabilis Proteus mirabilis MIC 0.2 ug.mL-1 10.1016/S0960-894X(01)80929-X
Proteus vulgaris Proteus vulgaris MIC 0.39 ug.mL-1 10.1016/S0960-894X(01)80929-X
Providencia rettgeri Providencia rettgeri MIC 0.006 ug.mL-1 10.1016/S0960-894X(01)80929-X
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 32.0 ug.mL-1 10.1021/jm950886v
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 100.0 ug.mL-1 10.1016/S0960-894X(01)80929-X
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 10000.0 nM 10.6019/CHEMBL4513141
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 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 Oligopeptide transporter, kidney isoform IC50 10000000.0 nM 10.1016/s0005-2736(96)00234-9
Rattus norvegicus Oligopeptide transporter, kidney isoform Ki 20100000.0 nM 10.1152/ajprenal.1997.273.5.f706
Rattus norvegicus Rattus norvegicus AUC 13200.0 ng.hr.mL-1 10.1016/S0960-894X(01)80929-X
Rattus norvegicus Rattus norvegicus Cmax 15173.74 nM 10.1016/S0960-894X(01)80929-X
Rattus norvegicus Rattus norvegicus T1/2 1.5 hr 10.1016/S0960-894X(01)80929-X
Rattus norvegicus Rattus norvegicus Tmax 2.0 hr 10.1016/S0960-894X(01)80929-X
Rattus norvegicus Rattus norvegicus UR 13.2 % 10.1016/S0960-894X(01)80929-X
Rattus norvegicus Solute carrier family 15 member 1 Ki 11900000.0 nM 10.1152/ajprenal.1997.273.5.f706
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 10000.0 nM 10.1038/s41467-023-40064-9
Serratia marcescens Serratia marcescens MIC 1.56 ug.mL-1 10.1016/S0960-894X(01)80929-X
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition -16.71 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 4.964 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.1164 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 -0.04 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.06 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 4.53 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 0.5132 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus MIC 0.063 ug.mL-1 10.1016/s0960-894x(00)00425-x
Staphylococcus aureus Staphylococcus aureus MIC 0.2 ug.mL-1 10.1016/S0960-894X(01)80929-X
Staphylococcus aureus Staphylococcus aureus MIC 0.39 ug.mL-1 10.1016/S0960-894X(01)80929-X
Staphylococcus aureus Staphylococcus aureus MIC 0.5 ug.mL-1 10.1021/jm950886v
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1016/s0960-894x(00)00425-x
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1021/jm950886v
Staphylococcus aureus Staphylococcus aureus MIC 5000.0 nM 10.6019/CHEMBL4513141
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.1 ug.mL-1 10.1016/S0960-894X(01)80929-X
Streptococcus agalactiae Streptococcus agalactiae MIC 0.016 ug.mL-1 10.1128/aac.01716-08
Streptococcus agalactiae Streptococcus agalactiae MIC50 0.031 ug.mL-1 10.1128/aac.01716-08
Streptococcus agalactiae Streptococcus agalactiae MIC90 0.063 ug.mL-1 10.1128/aac.01716-08
Streptococcus pneumoniae Streptococcus pneumoniae Activity 0.0 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 14.8 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 15.4 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 15.8 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 18.3 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 18.8 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 19.2 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 19.6 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 19.8 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 23.2 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 33.2 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 67.5 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 76.8 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 99.9 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae Activity 100.0 % 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.016 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.06 ug.mL-1 10.1128/aac.01150-06
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.06 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.1 ug.mL-1 10.1016/S0960-894X(01)80929-X
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.12 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.125 ug.mL-1 10.1128/aac.01150-06
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.25 ug.mL-1 10.1021/jm950886v
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.25 ug.mL-1 10.1128/aac.01150-06
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.25 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.5 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 1.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 2.0 ug.mL-1 10.1128/aac.01150-06
Streptococcus pneumoniae Streptococcus pneumoniae MIC 2.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 4.0 ug.mL-1 10.1016/s0960-894x(00)00425-x
Streptococcus pneumoniae Streptococcus pneumoniae MIC 4.0 ug.mL-1 10.1021/jm950886v
Streptococcus pneumoniae Streptococcus pneumoniae MIC 4.0 ug.mL-1 10.1128/aac.01150-06
Streptococcus pneumoniae Streptococcus pneumoniae MIC 4.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 8.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 16.0 ug.mL-1 10.1128/aac.01150-06
Streptococcus pneumoniae Streptococcus pneumoniae MIC 16.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 32.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.06 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.06 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.12 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.25 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.5 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 8.0 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 8.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 0.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 0.12 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 0.12 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 0.125 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 0.5 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 1.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 2.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 2.0 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 4.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 4.0 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 4.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 7.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 8.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 8.0 ug.mL-1 10.1128/aac.00971-07
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 8.0 ug.mL-1 10.1128/aac.01531-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 15.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 33.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 46.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 53.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 59.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 67.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 72.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 93.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 100.0 ug.mL-1 10.1128/aac.00310-08
Streptococcus pneumoniae Streptococcus pneumoniae Post Antibiotic Effe 1.6 hr 10.1128/aac.01150-06
Streptococcus pneumoniae R6 Penicillin-binding protein 2X Activity nan None 10.1021/jm900625q
Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) Penicillin-binding protein 2x Activity nan None 10.1021/jm900625q
Trypanosoma brucei brucei Phosphoglycerate kinase, glycosomal Potency 7943.3 nM None
None ADMET AUC 64200.0 ng.hr.mL-1 10.1016/S0960-894X(01)80929-X
None ADMET Cmax 14667.95 nM 10.1016/S0960-894X(01)80929-X
None ADMET T1/2 1.9 hr 10.1016/S0960-894X(01)80929-X
None ADMET Tmax 1.0 hr 10.1016/S0960-894X(01)80929-X
None ADMET UR 64.2 % 10.1016/S0960-894X(01)80929-X
None Hepatotoxicity HepSE_bilirubinemia 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholecystitis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cholelithiasis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_cirrhosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_Combined Scores 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 1.0 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 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) 1.0 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) 28.6 % 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 43.0 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 NON-PROTEIN TARGET MIC 0.016 ug.mL-1 10.1128/aac.01545-06
None NON-PROTEIN TARGET MIC 0.031 ug.mL-1 10.1016/s0960-894x(00)00425-x
None NON-PROTEIN TARGET MIC 0.06 ug.mL-1 10.1128/aac.01545-06
None NON-PROTEIN TARGET MIC 0.12 ug.mL-1 10.1128/aac.01545-06
None NON-PROTEIN TARGET MIC 0.5 ug.mL-1 10.1016/s0960-894x(00)00425-x
None NON-PROTEIN TARGET MIC 2.0 ug.mL-1 10.1128/aac.01545-06
None NON-PROTEIN TARGET MIC 8.0 ug.mL-1 10.1016/s0960-894x(00)00425-x
None No relevant target pKa 3.35 None 10.1007/s11095-013-1232-z
None Unchecked EC50 521.0 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) 0.0 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 15360.0 nM None
None Unchecked IC50 19130.0 nM None
None Unchecked IC50 25180.0 nM None
None Unchecked IC50 33340.0 nM None
None Unchecked IC50 33840.0 nM None
None Unchecked IC50 34638.0 nM None
None Unchecked Potency 1122.0 nM None
None Unchecked Potency 10000.0 nM None

Metabolism Information