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name Structure Reference Source Properties Activities Metabolism

Clavulanic Acid

AlkaPlorer ID: AK013759

Synonym: None

IUPAC Name: (2R,3Z,5R)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Structure

SMILES: O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21

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InChI: InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1

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InChIKey: HZZVJAQRINQKSD-PBFISZAISA-N

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Properties Information

Molecule Weight: 199.162

TPSA？: 87.07000000000001

MolLogP？: -1.0956

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter Acinetobacter MIC 2.0 ug.mL-1 10.1128/aac.01115-07
Acinetobacter Acinetobacter MIC nan None 10.1128/aac.01115-07
Acinetobacter baumannii ADC-11 IC50 2100000.0 nM 10.1128/aac.00050-10
Acinetobacter baumannii Beta-lactamase ADC-33 IC50 1600000.0 nM 10.1128/aac.00050-10
Acinetobacter baumannii Extended-spectrum beta-lactamase SHV-48 Ki 227360.0 nM 10.1007/s00044-011-9736-8
Acinetobacter genomosp. 3 ADC-14 protein IC50 235520.0 nM 10.1128/aac.00485-08
Acinetobacter genomosp. 3 ADC-16 protein IC50 1462480.0 nM 10.1128/aac.00485-08
Acinetobacter genomosp. 3 ADC-18 protein IC50 1928020.0 nM 10.1128/aac.00485-08
Aeromonas caviae Aeromonas caviae MIC 16.0 ug.mL-1 10.1128/aac.01462-06
Bacillus cereus Beta-lactamase 1 Inhibition 9.0 % 10.1016/s0960-894x(02)00061-6
Bacillus cereus Beta-lactamase 1 Inhibition 33.0 % 10.1016/s0960-894x(02)00061-6
Bacillus cereus Beta-lactamase 1 Inhibition 78.0 % 10.1016/s0960-894x(02)00061-6
Bacillus clausii Beta-lactamase IC50 85.0 nM 10.1128/aac.00537-07
Bacteria Bacterial beta-lactamase TEM IC50 29.5 nM None
Bacteroides fragilis Beta-lactamase type II IC50 0.05 ug.mL-1 10.1016/S0960-894X(01)80933-1
Bacteroides fragilis Beta-lactamase type II MPC 6.3 ug ml-1 10.1021/jm00144a034
Bacteroides fragilis Beta-lactamase type II MPC 63.0 ug ml-1 10.1021/jm00382a025
Brachyspira pilosicoli Class D beta-lactamase IC50 2000.0 nM 10.1128/aac.00684-07
Campylobacter coli Campylobacter coli MIC 2.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter coli Campylobacter coli MIC 4.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter coli Campylobacter coli MIC 8.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter coli Campylobacter coli MIC50 16.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter coli Campylobacter coli MIC90 32.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter coli Campylobacter coli MIC95 2.0 ug ml-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 0.25 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 0.5 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 1.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 2.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 4.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 8.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 16.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC 32.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC50 4.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC90 8.0 ug.mL-1 10.1128/aac.01655-08
Campylobacter jejuni Campylobacter jejuni MIC95 0.25 ug ml-1 10.1128/aac.01655-08
Citrobacter freundii Beta-lactamase IC50 3.2 ug.mL-1 10.1016/S0960-894X(01)80933-1
Citrobacter freundii Beta-lactamase SHV-95 Ki 107900.0 nM 10.1007/s00044-011-9736-8
Citrobacter freundii Citrobacter freundii MIC 8.0 ug.mL-1 10.1021/jm980023c
Citrobacter gillenii Gil1 IC50 9.0 nM 10.1128/aac.01152-06
Edwardsiella ictaluri Edwardsiella ictaluri MIC 16.0 ug.mL-1 10.1128/aac.01312-08
Enterobacter cloacae Beta-lactamase IC50 6.3 ug.mL-1 10.1016/S0960-894X(01)80933-1
Enterobacter cloacae Beta-lactamase IC50 155.0 ug.mL-1 10.1021/np50107a016
Enterobacter cloacae Beta-lactamase IC50 20000.0 nM 10.1016/0960-894X(95)00249-S
Enterobacter cloacae Beta-lactamase IC50 100000.0 nM 10.1016/S0960-894X(97)00401-0
Enterobacter cloacae Beta-lactamase IC50 100000.0 nM 10.1128/aac.00568-10
Enterobacter cloacae Beta-lactamase IC50 136200.0 nM 10.1021/jm0703237
Enterobacter cloacae Beta-lactamase IC50 160000.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Enterobacter cloacae Beta-lactamase ID50 310.0 uM 10.1016/S0960-894X(00)80358-3
Enterobacter cloacae Beta-lactamase MIC 32.0 ug.mL-1 10.1016/S0960-894X(00)80358-3
Enterobacter cloacae Beta-lactamase class C IC50 100000.0 nM 10.1016/s0960-894x(02)00061-6
Enterobacter cloacae Enterobacter cloacae IC50 100000.0 nM 10.1016/S0960-894X(97)00070-X
Enterobacter cloacae Enterobacter cloacae IZ 16.0 mm 10.1021/np0497447
Escherichia coli Beta-lactamase ACC-4 IC50 500000.0 nM 10.1128/aac.00389-07
Escherichia coli Beta-lactamase CTX-M IC50 9.0 nM 10.1128/aac.00218-07
Escherichia coli Beta-lactamase OXA-1 IC50 0.08 ug.mL-1 10.1016/S0960-894X(01)80933-1
Escherichia coli Beta-lactamase OXA-1 IC50 350.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Escherichia coli Beta-lactamase OXA-1 IC50 3200.0 nM 10.1021/jm00391a032
Escherichia coli Beta-lactamase OXA-1 ID50 3.4 uM 10.1016/S0960-894X(00)80358-3
Escherichia coli Beta-lactamase pse-1 IC50 15.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Escherichia coli Beta-lactamase SCO-1 IC50 70.0 nM 10.1128/aac.01439-06
Escherichia coli Beta-lactamase SHV-1 IC50 0.004 ug.mL-1 10.1016/S0960-894X(01)80933-1
Escherichia coli Beta-lactamase SHV-1 IC50 28.0 nM 10.1021/jm0703237
Escherichia coli Beta-lactamase SHV-1 IC50 30.3 nM None
Escherichia coli Beta-lactamase TEM Activity 3.0 uM 10.1128/aac.01439-06
Escherichia coli Beta-lactamase TEM IC50 0.008 ug.mL-1 10.1016/S0960-894X(01)80933-1
Escherichia coli Beta-lactamase TEM IC50 0.029 ug.mL-1 10.1021/np50107a016
Escherichia coli Beta-lactamase TEM IC50 29.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Escherichia coli Beta-lactamase TEM IC50 30.0 nM 10.1021/jm0703237
Escherichia coli Beta-lactamase TEM IC50 40.0 nM 10.1016/S0960-894X(97)00401-0
Escherichia coli Beta-lactamase TEM IC50 60.0 nM 10.1016/0960-894X(95)00249-S
Escherichia coli Beta-lactamase TEM IC50 80.0 nM 10.1128/aac.00614-07
Escherichia coli Beta-lactamase TEM IC50 170.0 nM 10.1128/aac.01439-06
Escherichia coli Beta-lactamase TEM IC50 21000.0 nM 10.1021/jm00391a032
Escherichia coli Beta-lactamase TEM IC50 25000.0 nM 10.1016/s0960-894x(02)00061-6
Escherichia coli Beta-lactamase TEM ID50 0.315 uM 10.1016/S0960-894X(00)80358-3
Escherichia coli Beta-lactamase TEM Ki 800.0 nM 10.1021/jm00397a018
Escherichia coli Beta-lactamase TEM MIC 32.0 ug.mL-1 10.1016/S0960-894X(00)80358-3
Escherichia coli Beta-lactamase TEM-125 IC50 8600.0 nM 10.1128/aac.00614-07
Escherichia coli Escherichia coli IC50 40.0 nM 10.1016/S0960-894X(97)00070-X
Escherichia coli Escherichia coli IZ 5.0 mm 10.1128/aac.00033-10
Escherichia coli Escherichia coli IZ 16.0 mm 10.1021/np0497447
Escherichia coli Escherichia coli MIC 0.06 ug.mL-1 10.1021/jm301490d
Escherichia coli Escherichia coli MIC 0.25 ug.mL-1 10.1021/jm980023c
Escherichia coli Escherichia coli MIC 0.5 ug.mL-1 10.1128/aac.01462-06
Escherichia coli Escherichia coli MIC 2.0 ug.mL-1 10.1128/aac.01312-08
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1021/jm00382a025
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1021/jm301490d
Escherichia coli Escherichia coli MIC 4.0 ug.mL-1 10.1128/aac.01462-06
Escherichia coli Escherichia coli MIC 8.0 ug.mL-1 10.1128/aac.01462-06
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1021/jm00382a025
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1021/jm301490d
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.01312-08
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1021/jm00144a034
Escherichia coli Escherichia coli MIC 63.0 ug.mL-1 10.1021/jm00382a025
Escherichia coli SHV-5 extended spectrum beta-lactamase ID50 0.013 uM 10.1016/S0960-894X(00)80358-3
Escherichia coli K-12 Beta-lactamase AmpC IC50 15.0 nM 10.1021/jm980023c
Escherichia coli K-12 Beta-lactamase AmpC IC50 137664.7 nM None
Escherichia coli K-12 Beta-lactamase AmpC IC50 1000000.0 nM 10.1016/s0960-894x(04)00332-4
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-2b 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 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 1000000.0 nM 10.1124/dmd.111.040758
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 Cyclooxygenase-2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C19 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2C9 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 2D6 Inhibition nan % 10.1021/tx300075j
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/tx300075j
Homo sapiens Delta opioid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 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 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 Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2 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 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 H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Homo sapiens CL 1.8 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 3.1 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 3.1 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 1.3 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 1.33 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens F 75.0 % 10.1016/j.bmc.2007.08.060
Homo sapiens Homo sapiens Fa 0.9 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.75 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 0.9 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.92 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.22 L.kg-1 10.1021/jm901371v
Homo sapiens Leukocyte elastase IC50 40000.0 nM 10.1021/jm00171a028
Homo sapiens Liver microsomes Activity nan None 10.1021/tx300075j
Homo sapiens Liver microsomes Stability nan % 10.1021/tx300075j
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 Motilin receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
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 Muscarinic acetylcholine receptor M3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Neuronal acetylcholine receptor protein alpha-4 subunit 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 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 Plasma fCmax 8.616 uM 10.1124/dmd.111.040758
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 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 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 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
Klebsiella oxytoca Beta-lactamase IC50 0.006 ug.mL-1 10.1016/S0960-894X(01)80933-1
Klebsiella pneumoniae Beta-lactamase NDM-1 Km nan None 10.1128/aac.00774-09
Klebsiella pneumoniae Beta-lactamase SHV-1 IC50 170.0 nM 10.1128/aac.01381-07
Klebsiella pneumoniae Beta-lactamase SHV-1 IC50 170.0 nM 10.1128/aac.01525-07
Klebsiella pneumoniae Beta-lactamase SHV-1 Ki 229100.0 nM 10.1007/s00044-011-9736-8
Klebsiella pneumoniae Beta-lactamase SHV-5 Ki 25360.0 nM 10.1007/s00044-011-9736-8
Klebsiella pneumoniae Beta-lactamase SHV-55 IC50 20.0 nM 10.1128/aac.01525-07
Klebsiella pneumoniae Beta-lactamase SHV-72 IC50 1720.0 nM 10.1128/aac.01381-07
Klebsiella pneumoniae Beta lactamase TEM-1 MPC 0.1 ug ml-1 10.1021/jm00144a034
Klebsiella pneumoniae Carbepenem-hydrolyzing beta-lactamase KPC IC50 10500.0 nM 10.1128/aac.00961-09
Klebsiella pneumoniae Carbepenem-hydrolyzing beta-lactamase KPC Ki 11000.0 nM 10.1128/aac.00197-10
Klebsiella pneumoniae Carbepenem-hydrolyzing beta-lactamase KPC MPC 0.1 ug ml-1 10.1021/jm00382a025
Klebsiella pneumoniae Klebsiella pneumoniae IZ 5.0 mm 10.1128/aac.00033-10
Klebsiella pneumoniae Klebsiella pneumoniae IZ 11.0 mm 10.1021/np0497447
Klebsiella pneumoniae Metallo-beta-lactamase VIM-2 Km nan None 10.1128/aac.00774-09
Moraxella catarrhalis Beta-lactamase BRO-1 IC50 0.006 ug.mL-1 10.1016/S0960-894X(01)80933-1
Mycobacterium tuberculosis Mycobacterium tuberculosis FC 4.0 None 10.1021/acs.jmedchem.5b01833
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 230.0 nM 10.1016/j.ejmech.2017.06.005
Proteus mirabilis Beta-lactamase IC50 0.013 ug.mL-1 10.1016/S0960-894X(01)80933-1
Proteus mirabilis Beta-lactamase IC50 0.019 ug.mL-1 10.1021/np50107a016
Proteus mirabilis Beta-lactamase IC50 19.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Pseudomonas aeruginosa Beta-lactamase IC50 100.0 nM 10.1128/aac.00859-09
Pseudomonas aeruginosa Beta-lactamase bla(BEL1) IC50 100.0 nM 10.1128/aac.00859-09
Pseudomonas aeruginosa Beta-lactamase GES-13 IC50 100.0 nM 10.1128/aac.01561-09
Pseudomonas aeruginosa Beta-lactamase PSE-4 ID50 0.235 uM 10.1016/S0960-894X(00)80358-3
Pseudomonas aeruginosa Beta-lactamase VIM-2 Kcat 5.4 /s 10.1128/aac.00166-08
Pseudomonas aeruginosa Beta-lactamase VIM-2 Kcat/Km 0.0011 /uM/s 10.1128/aac.00166-08
Pseudomonas aeruginosa Beta-lactamase VIM-2 Km 5000000.0 nM 10.1128/aac.00166-08
Pseudomonas aeruginosa Metallo-b-lactamase Kcat 2.3 /s 10.1128/aac.00166-08
Pseudomonas aeruginosa Metallo-b-lactamase Kcat/Km 0.0025 /uM/s 10.1128/aac.00166-08
Pseudomonas aeruginosa Metallo-b-lactamase Km 940000.0 nM 10.1128/aac.00166-08
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 16.0 mm 10.1021/np0497447
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 32.0 ug.mL-1 10.1021/jm980023c
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Beta-lactamase IC50 740.0 ug.mL-1 10.1021/np50107a016
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Beta-lactamase IC50 800.0 nM 10.1021/jm980023c
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Beta-lactamase IC50 100000.0 nM 10.1128/aac.00568-10
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Beta-lactamase IC50 740000.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228) Beta-lactamase MPC 3.0 ug ml-1 10.1021/jm960810e
Pseudomonas luteola Beta-lactamase IC50 36.0 nM 10.1128/aac.00427-09
Rattus norvegicus Androgen Receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Rattus norvegicus Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Plasma Fu 0.91 None 10.1021/jm901371v
Salmonella enterica subsp. enterica serovar Westhampton Extended-spectrum beta-lactamase CTX-M-53 IC50 10.0 nM 10.1128/aac.01581-08
Serratia fonticola Carbapenem-hydrolizing beta-lactamase SFC-1 IC50 72800.0 nM 10.1128/aac.00491-07
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
Staphylococcus aureus Beta-lactamase IC50 0.005 ug.mL-1 10.1016/S0960-894X(01)80933-1
Staphylococcus aureus Beta-lactamase IC50 0.03 ug.mL-1 10.1021/np50107a016
Staphylococcus aureus Beta-lactamase IC50 30.0 ug.mL-1 10.1016/S0960-894X(01)80506-0
Staphylococcus aureus Beta-lactamase IC50 80.0 nM 10.1021/jm00391a032
Staphylococcus aureus Beta-lactamase ID50 0.38 uM 10.1016/S0960-894X(00)80358-3
Staphylococcus aureus Beta-lactamase MPC 0.38 ug ml-1 10.1021/jm960810e
Staphylococcus aureus Beta-lactamase MPC 0.4 ug ml-1 10.1021/jm00144a034
Staphylococcus aureus Beta-lactamase MPC 0.4 ug ml-1 10.1021/jm00382a025
Staphylococcus aureus Staphylococcus aureus IZ 16.0 mm 10.1021/np0497447
Staphylococcus aureus Staphylococcus aureus MIC 2.0 ug.mL-1 10.1021/jm00382a025
Staphylococcus aureus Staphylococcus aureus MIC 4.0 ug.mL-1 10.1021/jm00382a025
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1016/S0960-894X(00)80358-3
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1021/jm00144a034
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1021/jm00382a025
Staphylococcus aureus Staphylococcus aureus MIC 63.0 ug.mL-1 10.1021/jm00382a025
Staphylococcus epidermidis Staphylococcus epidermidis IZ 16.0 mm 10.1021/np0497447
None ADMET AUC 4500.0 ng.hr.mL-1 10.1128/aac.01530-06
None ADMET AUC 4700.0 ng.hr.mL-1 10.1128/aac.01530-06
None ADMET CL 3.1 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET Cmax 10544.29 nM 10.1128/aac.01530-06
None ADMET Drug uptake 0.03 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 0.1 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 0.2 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 0.4 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 0.5 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 0.7 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 0.9 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 1.0 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 1.2 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 1.3 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 1.4 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 1.5 ug ml-1 10.1128/aac.01530-06
None ADMET Drug uptake 2.1 ug ml-1 10.1128/aac.01530-06
None ADMET fAUC 2800.0 ng.hr.mL-1 10.1128/aac.01530-06
None ADMET fAUC 2900.0 ng.hr.mL-1 10.1128/aac.01530-06
None ADMET fCmax 1.4 ug ml-1 10.1128/aac.01530-06
None ADMET fCmax 1.5 ug ml-1 10.1128/aac.01530-06
None ADMET ft1/2 1.0 hr 10.1128/aac.01530-06
None ADMET MRT 1.0 hr 10.1124/dmd.108.020479
None ADMET PPB 25.0 % 10.1128/aac.01530-06
None ADMET T1/2 0.9 hr 10.1124/dmd.108.020479
None ADMET T1/2 1.0 hr 10.1128/aac.01530-06
None ADMET T1/2 2.0 hr 10.1016/s0960-894x(04)00332-4
None ADMET Tmax 1.5 hr 10.1128/aac.01530-06
None ADMET Vdss 0.22 L.kg-1 10.1124/dmd.108.020479
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None NON-PROTEIN TARGET Fu 0.91 None 10.1124/dmd.108.020479
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Activity 0.03 /s 10.1128/aac.00568-10
None Unchecked Activity 5.0 % 10.1128/aac.00693-09
None Unchecked FC 1.7 None 10.1128/aac.00197-10
None Unchecked FC 5.0 None 10.1128/aac.00197-10
None Unchecked IC50 0.015 ug.mL-1 10.1021/np50107a016
None Unchecked IC50 0.35 ug.mL-1 10.1021/np50107a016
None Unchecked IC50 4.0 nM 10.1128/aac.00568-10
None Unchecked IC50 10.0 nM 10.1128/aac.00227-08
None Unchecked IC50 12.0 nM 10.1021/acs.jmedchem.9b01518
None Unchecked IC50 12.0 nM 10.1128/aac.00568-10
None Unchecked IC50 20.0 nM 10.1128/aac.00614-07
None Unchecked IC50 20.0 nM 10.1128/aac.01058-06
None Unchecked IC50 25.0 nM 10.1128/aac.01058-06
None Unchecked IC50 28.0 nM 10.1128/aac.00085-08
None Unchecked IC50 30.0 nM 10.1128/aac.00085-08
None Unchecked IC50 40.0 nM 10.1021/acs.jmedchem.9b01518
None Unchecked IC50 58.0 nM 10.1128/aac.00568-10
None Unchecked IC50 65.0 nM 10.1016/s0960-894x(04)00332-4
None Unchecked IC50 70.0 nM 10.1128/aac.01164-08
None Unchecked IC50 80.0 nM 10.1128/aac.00771-10
None Unchecked IC50 80.0 nM 10.1128/aac.01058-06
None Unchecked IC50 90.0 nM 10.1128/aac.00771-10
None Unchecked IC50 100.0 nM 10.1128/aac.00771-10
None Unchecked IC50 100.0 nM 10.1128/aac.01164-08
None Unchecked IC50 100.0 nM 10.1128/aac.01439-06
None Unchecked IC50 120.0 nM 10.1021/acs.jmedchem.9b01518
None Unchecked IC50 160.0 nM 10.1021/jm00391a032
None Unchecked IC50 170.0 nM 10.1128/aac.01058-06
None Unchecked IC50 300.0 nM 10.1128/aac.01600-06
None Unchecked IC50 500.0 nM 10.1128/aac.00771-10
None Unchecked IC50 800.0 nM 10.1128/aac.00771-10
None Unchecked IC50 1000.0 nM 10.1128/aac.00614-07
None Unchecked IC50 1000.0 nM 10.1128/aac.01058-06
None Unchecked IC50 1700.0 nM 10.1128/aac.00771-10
None Unchecked IC50 1800.0 nM 10.1021/acs.jmedchem.9b01518
None Unchecked IC50 4700.0 nM 10.1128/aac.01145-07
None Unchecked IC50 13600.0 nM 10.1128/aac.00614-07
None Unchecked IC50 20500.0 nM 10.1128/aac.01058-06
None Unchecked IC50 27000.0 nM 10.1128/aac.00614-07
None Unchecked IC50 30000.0 nM 10.1021/acs.jmedchem.9b01518
None Unchecked IC50 30000.0 nM 10.1128/aac.00961-09
None Unchecked IC50 100000.0 nM 10.1021/acs.jmedchem.9b01518
None Unchecked IC50 100000.0 nM 10.1128/aac.00568-10
None Unchecked IC50 136200.0 nM 10.1128/aac.00085-08
None Unchecked IC50 200000.0 nM 10.1021/acs.jmedchem.1c00369
None Unchecked IC50 nan nM 10.1021/jm00391a032
None Unchecked ID50 0.51 uM 10.1016/S0960-894X(00)80358-3
None Unchecked Inhibition 81.0 % 10.1021/acs.jmedchem.1c00790
None Unchecked Inhibition nan % 10.1021/jm301490d
None Unchecked Kcat nan None 10.1128/aac.00166-08
None Unchecked Kcat/Km 0.0036 microM/s 10.1128/aac.00693-09
None Unchecked Kcat/Km nan None 10.1128/aac.00166-08
None Unchecked Ki 20.0 nM 10.1021/acs.jmedchem.5b00127
None Unchecked Ki 27.0 nM 10.1021/acs.jmedchem.5b00127
None Unchecked Ki 39.0 nM 10.1021/acs.jmedchem.5b00127
None Unchecked Ki 800.0 nM 10.1128/aac.00568-10
None Unchecked Ki 1300.0 nM 10.1021/jm301490d
None Unchecked Ki 7700.0 nM 10.1021/jm301490d
None Unchecked Ki 13000.0 nM 10.1128/aac.00197-10
None Unchecked Ki 19000.0 nM 10.1128/aac.00743-09
None Unchecked Ki 41200.0 nM 10.1021/acs.jmedchem.5b00127
None Unchecked Ki 45000.0 nM 10.1128/aac.00743-09
None Unchecked Ki 51000.0 nM 10.1128/aac.00743-09
None Unchecked Ki 55000.0 nM 10.1128/aac.00197-10
None Unchecked Ki 104000.0 nM 10.1128/aac.00743-09
None Unchecked Ki 195000.0 nM 10.1128/aac.00743-09
None Unchecked Ki 337130.0 nM 10.1007/s00044-011-9736-8
None Unchecked Ki 845000.0 nM 10.1021/acs.jmedchem.5b00127
None Unchecked Ki 1106000.0 nM 10.1021/acs.jmedchem.5b00127
None Unchecked Km 500.0 nM 10.1128/aac.00568-10
None Unchecked Km 8400.0 nM 10.1128/aac.00693-09
None Unchecked Km nan None 10.1128/aac.00166-08
None Unchecked Km nan None 10.1128/aac.00774-09
None Unchecked Ratio 25.0 None 10.1021/jm301490d
None Unchecked Ratio 50.0 None 10.1021/jm301490d
None Unchecked Ratio 2500.0 None 10.1128/aac.00693-09
None Unchecked Ratio 60000.0 /M/s 10.1128/aac.00568-10
None Unchecked Ratio IC50 2.0 None 10.1128/aac.00614-07
None Unchecked Ratio IC50 3.0 None 10.1128/aac.00614-07
None Unchecked Ratio IC50 60.0 None 10.1128/aac.01145-07
None Unchecked Tm 46.1 degrees C 10.1021/jm301490d
None Unchecked Tm 55.0 degrees C 10.1021/jm301490d

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT023487 O=C/C=C1\O[C@@H]2CC(=O)N2[C@H]1C(=O)O>>O=C(O)[C@H]1/C(=C/CO)O[C@@H]2CC(=O)N21 RXN-8893