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name Structure Reference Source Properties Activities Metabolism

6-[(1-hydroxy-2-phenoxyethylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

AlkaPlorer ID: AK009278

Synonym: None

IUPAC Name: (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Structure

SMILES: CC1(C)S[C@@H]2[C@H](NC(=O)COC3=CC=CC=C3)C(=O)N2[C@H]1C(=O)O

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InChI: InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1

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InChIKey: BPLBGHOLXOTWMN-MBNYWOFBSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 350.3960000000001

TPSA？: 95.94

MolLogP？: 0.6970999999999998

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus licheniformis Bacillus licheniformis MIC 1500000.0 nM 10.1021/ml400408c
Bacillus sp. Bacillus sp. MIC 3.125 ug.mL-1 10.1016/j.bmcl.2005.05.045
Bacillus subtilis Bacillus subtilis MIC 0.005 ug 10.1021/np50049a003
Bacillus subtilis Bacillus subtilis MIC 1.562 ug.mL-1 10.1016/j.bmcl.2005.05.045
Bacillus subtilis Bacillus subtilis MIC 1400000.0 nM 10.1021/ml400408c
Bacillus subtilis (strain 168) D-alanyl-D-alanine carboxypeptidase DacA Ki 620.0 /M/s 10.1021/ml400408c
Bacillus subtilis (strain 168) Penicillin-binding protein 3 Ki 28.0 /M/s 10.1021/ml400408c
Bacillus subtilis (strain 168) Penicillin-binding protein 4 Ki 1.9 10'4/M/s 10.1021/ml400408c
Canis lupus familiaris Canis familiaris AUC 3000.0 ng.hr.mL-1 10.1021/jm00118a022
Canis lupus familiaris Canis familiaris AUC 25333.33 ng.hr.mL-1 10.1021/jm00118a022
Canis lupus familiaris Canis familiaris Dose 4.9 % 10.1021/jm00118a022
Canis lupus familiaris Canis familiaris Dose 32.0 % 10.1021/jm00118a022
Citrobacter koseri Citrobacter koseri MIC 200.0 ug.mL-1 10.1021/jm00163a048
Enterobacter cloacae Enterobacter cloacae MIC 200.0 ug.mL-1 10.1021/jm00163a048
Escherichia coli Beta-lactamase OXA-7 Km 29000.0 nM 10.1128/aac.01714-09
Escherichia coli Beta-lactamase OXA-7 Vmax 6.7 nmol/sec 10.1128/aac.01714-09
Escherichia coli Escherichia coli Activity 33.0 uM 10.1128/aac.01714-09
Escherichia coli Escherichia coli MIC 2.0 ug 10.1021/np50049a003
Escherichia coli Escherichia coli MIC 100.0 ug.mL-1 10.1021/jm00163a048
Escherichia coli Escherichia coli MIC 128.0 ug.mL-1 10.1016/S0960-894X(01)80931-8
Escherichia coli Escherichia coli MIC 128.0 ug.mL-1 10.1021/jm00118a022
Escherichia coli Escherichia coli MIC 178.0 ug.mL-1 10.1128/aac.01714-09
Escherichia coli Escherichia coli MIC 200.0 ug.mL-1 10.1021/jm00163a048
Escherichia coli Escherichia coli MIC 750000.0 nM 10.1021/ml400408c
Escherichia coli Escherichia coli permeability 0.7 um/s 10.1128/aac.01714-09
Haemophilus influenzae Haemophilus influenzae MIC 6.25 ug.mL-1 10.1021/jm00163a048
Homo sapiens Acetylcholinesterase 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 Androgen 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 Caco-2 logPapp -6.77 None 10.1016/j.bmc.2011.03.011
Homo sapiens Cyclooxygenase-1 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 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 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 HERG 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 -25.72 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -0.31 % 10.6019/CHEMBL4808148
Homo sapiens Homo sapiens Activity 0.59 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens CL 5.1 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL 6.8 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens CL 6.8 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 1.7 mL.min-1.kg-1 10.1021/jm901371v
Homo sapiens Homo sapiens CL_renal 1.74 mL.min-1.kg-1 10.1021/jm900403j
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 0.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens Fa 0.6 None 10.1021/jm901371v
Homo sapiens Homo sapiens F_fraction 0.48 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fg 1.03 None 10.1021/jm901371v
Homo sapiens Homo sapiens Fh 0.78 None 10.1021/jm901371v
Homo sapiens Homo sapiens Vdss 0.41 L.kg-1 10.1021/jm901371v
Homo sapiens Monoamine oxidase A 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 Norepinephrine transporter AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Oligopeptide transporter small intestine isoform Ki 21000000.0 nM 10.1021/jm048982w
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4A 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 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 albumin Log K' 0.69 None 10.1021/jm010960b
Homo sapiens Solute carrier family 22 member 8 Inhibition nan % 10.1124/dmd.112.049569
Homo sapiens Thrombin AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Klebsiella aerogenes Klebsiella aerogenes MIC 6.25 ug.mL-1 10.1016/j.bmcl.2005.05.045
Klebsiella aerogenes Klebsiella aerogenes MIC 128.0 ug.mL-1 10.1021/jm00118a022
Klebsiella pneumoniae Klebsiella pneumoniae MIC 128.0 ug.mL-1 10.1021/jm00118a022
Klebsiella pneumoniae Klebsiella pneumoniae MIC 200.0 ug.mL-1 10.1021/jm00163a048
Macaca mulatta Rhesus monkey AUC 2333.33 ng.hr.mL-1 10.1021/jm00118a022
Macaca mulatta Rhesus monkey AUC 43000.0 ng.hr.mL-1 10.1021/jm00118a022
Macaca mulatta Rhesus monkey T1/2 0.2 hr 10.1021/jm00118a022
Morganella morganii Morganella morganii MIC 200.0 ug.mL-1 10.1021/jm00163a048
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus ED50 0.04 mg 2kg-1 10.1021/jm00118a022
Mus musculus Mus musculus ED50 0.04 mg 2kg-1 10.1021/jm00118a023
Mus musculus Mus musculus ED50 0.16 mg 2kg-1 10.1021/jm00118a022
Mus musculus Mus musculus ED50 0.16 mg 2kg-1 10.1021/jm00118a023
Mus musculus Mus musculus ED50 0.46 mg 2kg-1 10.1021/jm00118a023
Mus musculus Mus musculus ED50 0.5 mg 2kg-1 10.1021/jm00118a022
Mus musculus Mus musculus ED50 0.62 mg 2kg-1 10.1021/jm00118a022
Mus musculus Mus musculus ED50 0.62 mg 2kg-1 10.1021/jm00118a023
Mus musculus Mus musculus ED50 2.1 mg 2kg-1 10.1021/jm00118a022
Mus musculus Mus musculus ED50 2.1 mg 2kg-1 10.1021/jm00118a023
Mus musculus Mus musculus ED50 2.3 mg 2kg-1 10.1021/jm00118a023
Mus musculus Mus musculus ED50 2.8 mg 2kg-1 10.1021/jm00118a022
Mus musculus Mus musculus MIC 0.02 ug.mL-1 10.1021/jm00118a022
Mus musculus Mus musculus MIC 0.02 ug.mL-1 10.1021/jm00118a023
Mus musculus Mus musculus MIC 0.04 ug.mL-1 10.1021/jm00118a022
Mus musculus Mus musculus MIC 0.04 ug.mL-1 10.1021/jm00118a023
Mus musculus Mus musculus MIC 0.06 ug.mL-1 10.1021/jm00118a022
Mus musculus Mus musculus MIC 0.06 ug.mL-1 10.1021/jm00118a023
Mus musculus Nuclear receptor ROR-gamma Potency 25118.9 nM None
Mus musculus Solute carrier family 22 member 6 Inhibition nan % 10.1124/dmd.112.049569
Mus musculus Solute carrier family 22 member 8 Drug uptake nan None 10.1124/dmd.112.049569
Mus musculus Solute carrier family 22 member 8 IC50 48600.0 nM 10.1124/dmd.112.049569
Mus musculus Solute carrier family 22 member 8 Inhibition nan % 10.1124/dmd.112.049569
Neisseria meningitidis Neisseria meningitidis Activity 0.0 % 10.1128/aac.00994-08
Neisseria meningitidis Neisseria meningitidis Activity 1.0 % 10.1128/aac.00994-08
Neisseria meningitidis Neisseria meningitidis Activity 99.0 % 10.1128/aac.00994-08
Neisseria meningitidis Neisseria meningitidis MIC 0.016 ug.mL-1 10.1128/aac.00994-08
Neisseria meningitidis Neisseria meningitidis MIC50 0.19 ug.mL-1 10.1128/aac.00994-08
Neisseria meningitidis Neisseria meningitidis MIC90 0.38 ug.mL-1 10.1128/aac.00994-08
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 200.0 ug.mL-1 10.1021/jm00163a048
Rattus norvegicus GABA receptor alpha-1 subunit AC50 30000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Plasma Fu 0.45 None 10.1021/jm901371v
Rattus norvegicus Rattus norvegicus F 34.0 % 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Plasma level 0.3 ug ml-1 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Plasma level 0.8 ug ml-1 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Plasma level 6.8 ug ml-1 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Plasma level 14.1 ug ml-1 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Plasma level 30.4 ug ml-1 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Plasma level 59.0 ug ml-1 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Recovery 2.6 % 10.1021/jm00118a022
Rattus norvegicus Rattus norvegicus Recovery 22.5 % 10.1021/jm00118a022
Salmonella Salmonella MIC 128.0 ug.mL-1 10.1021/jm00118a022
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab IC50 50000.0 nM 10.1021/acs.jmedchem.1c02214
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.002553 None 10.1101/2020.04.21.054387
Staphylococcus aureus Staphylococcus aureus IC80 250.0 umol/L 10.1016/j.bmc.2012.10.007
Staphylococcus aureus Staphylococcus aureus IC80 500.0 umol/L 10.1016/j.bmc.2012.10.007
Staphylococcus aureus Staphylococcus aureus MIC 0.025 ug.mL-1 10.1021/jm00163a048
Staphylococcus aureus Staphylococcus aureus MIC 0.06 ug.mL-1 10.1016/S0960-894X(01)80931-8
Staphylococcus aureus Staphylococcus aureus MIC 0.06 ug.mL-1 10.1021/jm00118a022
Staphylococcus aureus Staphylococcus aureus MIC 1.562 ug.mL-1 10.1016/j.bmcl.2005.05.045
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1016/S0960-894X(01)80931-8
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1021/jm00118a022
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1021/jm00118a022
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1021/jm00163a048
Staphylococcus aureus Staphylococcus aureus MIC90 240.0 nM 10.1016/j.bmc.2012.10.027
Staphylococcus aureus Staphylococcus aureus MIC90 125000.0 nM 10.1016/j.bmc.2012.10.027
Staphylococcus epidermidis Staphylococcus epidermidis IC80 62.5 umol/L 10.1016/j.bmc.2012.10.007
Staphylococcus epidermidis Staphylococcus epidermidis IC80 250.0 umol/L 10.1016/j.bmc.2012.10.007
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.06 ug.mL-1 10.1021/jm00118a022
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.125 ug.mL-1 10.1016/S0960-894X(01)80931-8
Staphylococcus epidermidis Staphylococcus epidermidis MIC 0.125 ug.mL-1 10.1021/jm00118a022
Staphylococcus epidermidis Staphylococcus epidermidis MIC 370000.0 nM 10.1021/ml400408c
Staphylococcus epidermidis Staphylococcus epidermidis MIC90 31250.0 nM 10.1016/j.bmc.2012.10.027
Staphylococcus epidermidis Staphylococcus epidermidis MIC90 125000.0 nM 10.1016/j.bmc.2012.10.027
Streptococcus agalactiae Streptococcus agalactiae MIC 0.03 ug.mL-1 10.1128/aac.00185-08
Streptococcus agalactiae Streptococcus agalactiae MIC 0.12 ug.mL-1 10.1128/aac.00185-08
Streptococcus agalactiae Streptococcus agalactiae MIC 0.25 ug.mL-1 10.1128/aac.00185-08
Streptococcus agalactiae Streptococcus agalactiae MIC 0.5 ug.mL-1 10.1128/aac.00185-08
Streptococcus agalactiae Streptococcus agalactiae MIC 1.0 ug.mL-1 10.1128/aac.00185-08
Streptococcus pneumoniae Streptococcus pneumoniae Activity 0.0 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 10.2 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 10.5 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 13.8 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 20.7 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 36.4 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 37.2 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 84.8 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 95.9 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 98.8 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae Activity 100.0 % 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae ED50 60.0 mg.kg-1 10.1128/aac.00026-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.03 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.06 ug.mL-1 10.1016/S0960-894X(01)80931-8
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.5 ug.mL-1 10.1128/aac.00185-08
Streptococcus pneumoniae Streptococcus pneumoniae MIC 1.0 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC 16.0 ug.mL-1 10.1021/jm00118a022
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.03 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 0.5 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 2.0 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC50 4.0 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 0.03 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 1.0 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 2.0 ug.mL-1 10.1128/aac.01797-09
Streptococcus pneumoniae Streptococcus pneumoniae MIC90 4.0 ug.mL-1 10.1128/aac.01797-09
Streptococcus pyogenes Streptococcus pyogenes MIC 0.025 ug.mL-1 10.1021/jm00163a048
Streptococcus pyogenes Streptococcus pyogenes MIC 0.06 ug.mL-1 10.1021/jm00118a022
None ADMET AUC 31966.67 ng.hr.mL-1 10.1021/jm00118a022
None ADMET CL 6.8 mL.min-1.kg-1 10.1124/dmd.108.020479
None ADMET F 5.5 % 10.1021/jm00118a022
None ADMET F 11.0 % 10.1021/jm00118a022
None ADMET F 11.6 % 10.1021/jm00118a022
None ADMET F 29.0 % 10.1021/jm00118a022
None ADMET k 0.248 hr-1 10.1021/jm00109a030
None ADMET k 0.248 hr-1 10.1021/jm00401a026
None ADMET logP(lung) -0.8 None 10.1016/j.ejmech.2007.04.002
None ADMET MRT 1.0 hr 10.1124/dmd.108.020479
None ADMET T1/2 0.3 hr 10.1021/jm00118a022
None ADMET T1/2 0.3233 hr 10.1021/jm00118a022
None ADMET T1/2 0.84 hr 10.1124/dmd.108.020479
None ADMET T1/2 14.0 hr 10.1021/jm00400a015
None ADMET T1/2 17.0 hr 10.1021/jm00400a015
None ADMET Vdss 0.41 L.kg-1 10.1124/dmd.108.020479
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 0.0 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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None NON-PROTEIN TARGET Fu 0.45 None 10.1124/dmd.108.020479
None NON-PROTEIN TARGET MIC 12.5 ug.mL-1 10.1016/j.bmcl.2005.05.045
None NON-PROTEIN TARGET MIC 64.0 ug.mL-1 10.1021/jm00118a022
None NON-PROTEIN TARGET MIC 128.0 ug.mL-1 10.1021/jm00118a022
None No relevant target LogP 1.54 None 10.1128/aac.01714-09
None No relevant target pKa 2.735 None 10.1007/s11095-013-1232-z
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked K0.5 0.82 uM 10.1128/aac.01714-09
None Unchecked Kcat 20.0 /s 10.1128/aac.01164-08
None Unchecked Kcat/Km 2.0 /uM/s 10.1128/aac.01164-08
None Unchecked Ki 1.1 10'5/M/s 10.1021/ml400408c
None Unchecked Ki 1.9 10'4/M/s 10.1021/ml400408c
None Unchecked Ki 5.0 /M/s 10.1021/ml400408c
None Unchecked Ki 96.0 /M/s 10.1021/ml400408c
None Unchecked Ki 128.0 /M/s 10.1021/ml400408c
None Unchecked Ki 184.0 /M/s 10.1021/ml400408c
None Unchecked Ki 420.0 /M/s 10.1021/ml400408c
None Unchecked Ki 3200.0 /M/s 10.1021/ml400408c
None Unchecked Km 10000.0 nM 10.1128/aac.01164-08
None Unchecked MIC 200.0 ug.mL-1 10.1021/jm00163a048
None Unchecked Potency 454.8 nM None
None Unchecked Ratio 1.1 None 10.1021/jm00118a023
None Unchecked Ratio 3.9 None 10.1021/jm00118a023
None Unchecked Ratio 11.0 None 10.1021/jm00118a023
None Unchecked Vmax 0.72 nmol/sec 10.1128/aac.01714-09

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006861 CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O.O=C(O)COc1ccccc1>>CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O enzymemap_76099
AKRT006879 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O>>CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O enzymemap_76053
AKRT006880 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O>>CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(=O)O.O=C(O)COc1ccccc1 None
AKRT006881 CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O>>O=C(O)COc1ccccc1 enzymemap_76053
AKRT006884 CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O.O=C(O)COc1ccccc1>>CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O RXN-17100
AKRT023448 O=C([CoA])COc1ccccc1.CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O>>CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O enzymemap_29089