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name Structure Reference Source Properties Activities Metabolism

Cycloserine

AlkaPlorer ID: AK004021

Synonym: None

IUPAC Name: (4R)-4-amino-1,2-oxazolidin-3-one

Structure

SMILES: N[C@@H]1CONC1=O

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InChI: InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

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InChIKey: DYDCUQKUCUHJBH-UWTATZPHSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Roger Coccinellidae Coleoptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 102.093

TPSA？: 64.35

MolLogP？: -1.624900000000001

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition 25.21 % 10.6019/CHEMBL4513141
Bacillus subtilis Bacillus subtilis Activity nan None 10.1021/acs.jmedchem.6b01780
Bacillus subtilis Bacillus subtilis Inhibition nan % 10.1016/j.ejmech.2017.08.039
Candida albicans Candida albicans Inhibition 1.72 % 10.6019/CHEMBL4513141
Chlamydia trachomatis Chlamydia trachomatis Activity nan None 10.1016/j.bmcl.2014.06.056
Chlorocebus sabaeus Vero IC50 6.25 ug.mL-1 10.1016/j.bmcl.2017.05.050
Chlorocebus sabaeus Vero IC50 62.5 ug.mL-1 10.1016/j.bmcl.2012.12.069
Chlorocebus sabaeus Vero IC50 100.0 ug.mL-1 10.1021/np400497f
Chlorocebus sabaeus Vero MNCC 6.25 ug ml-1 10.1016/j.bmc.2016.09.044
Citrobacter freundii Citrobacter freundii MIC 2.0 ug.mL-1 10.1021/jm00156a021
Cryptococcus neoformans Cryptococcus neoformans Inhibition -5.65 % 10.6019/CHEMBL4513141
Enterobacter cloacae Enterobacter cloacae MIC 2.0 ug.mL-1 10.1021/jm00156a021
Enterococcus faecalis Enterococcus faecalis MIC 128.0 ug.mL-1 10.1128/aac.00166-09
Enterococcus faecalis Enterococcus faecalis MIC 128.0 ug.mL-1 10.1128/aac.00845-07
Enterococcus faecalis Enterococcus faecalis MIC 1250000.0 nM 10.1016/j.ejmech.2018.09.067
Enterococcus faecalis (strain ATCC 700802 / V583) D-alanine--D-alanine ligase IC50 262000.0 nM 10.1016/j.ejmech.2018.09.067
Enterococcus faecalis (strain ATCC 700802 / V583) D-alanine--D-alanine ligase Inhibition 30.0 % 10.1016/j.ejmech.2018.09.067
Enterococcus faecium Enterococcus faecium MIC 64.0 ug.mL-1 10.1128/aac.00166-09
Enterococcus faecium Enterococcus faecium MIC 64.0 ug.mL-1 10.1128/aac.00845-07
Escherichia coli Escherichia coli Activity 0.5 None 10.1128/aac.00845-07
Escherichia coli Escherichia coli Activity 5.0 None 10.1128/aac.00845-07
Escherichia coli Escherichia coli Activity nan None 10.1021/acs.jmedchem.6b01780
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.00166-09
Escherichia coli Escherichia coli Activity nan None 10.1128/aac.00845-07
Escherichia coli Escherichia coli Diameter 39.0 nm 10.1021/jm00175a002
Escherichia coli Escherichia coli Inhibition 1.47 % 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli MIC 0.25 ug.mL-1 10.1021/jm00156a021
Escherichia coli Escherichia coli MIC 0.5 ug.mL-1 10.1021/jm00156a021
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1016/j.bmcl.2007.01.015
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1016/j.ejmech.2020.112832
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.00166-09
Escherichia coli Escherichia coli MIC 16.0 ug.mL-1 10.1128/aac.00845-07
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1021/jm00156a021
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1128/aac.00166-09
Escherichia coli Escherichia coli MIC 32.0 ug.mL-1 10.1128/aac.00845-07
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1128/aac.00166-09
Escherichia coli Escherichia coli MIC 64.0 ug.mL-1 10.1128/aac.00845-07
Escherichia coli Escherichia coli MIC 128.0 ug.mL-1 10.1021/jm00156a021
Escherichia coli K-12 D-alanylalanine synthetase Inhibition nan % 10.1038/nchembio.221
Escherichia coli K-12 UDP-3-O-acyl-GlcNAc deacetylase Inhibition nan % 10.1038/nchembio.221
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 1.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 2.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 4.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 8.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 16.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 32.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli K-12 UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase MIC 256.0 ug.mL-1 10.1021/jm00117a017
Escherichia coli (strain K12) 30S ribosomal protein S18 Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) Cell division protein FtsA Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) Iron-sulfur cluster insertion protein ErpA Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) Outer membrane protein TolC Inhibition nan % 10.1038/nchembio.221
Escherichia coli (strain K12) tRNA threonylcarbamoyladenosine biosynthesis protein TsaE Inhibition nan % 10.1038/nchembio.221
Homo sapiens Acetylcholinesterase AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Adenosine A3 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 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 IC50 1000000.0 nM 10.1124/dmd.111.040758
Homo sapiens Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.112.047068
Homo sapiens Bloom syndrome protein Potency 1.1 nM None
Homo sapiens Bloom syndrome protein Potency 50118.7 nM None
Homo sapiens Chromobox protein homolog 1 Potency 8436.8 nM None
Homo sapiens Cyclooxygenase-1 AC50 19346.4 nM 10.1038/s41467-023-40064-9
Homo sapiens Cyclooxygenase-1 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 Potency 39810.7 nM None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 10000.0 nM None
Homo sapiens Cytochrome P450 3A4 AC50 12589.25 nM None
Homo sapiens Cytochrome P450 3A4 AC50 31622.78 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 Potency 10000.0 nM None
Homo sapiens Cytochrome P450 3A4 Potency 12589.3 nM None
Homo sapiens Cytochrome P450 3A4 Potency 31622.8 nM None
Homo sapiens Cytochrome P450 3A4 Potency 39810.7 nM None
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 Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
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 -21.59 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.43 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 25.1 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 17782.8 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 19952.6 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 39810.7 nM None
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 44668.4 nM None
Homo sapiens Homo sapiens Activity 0.73 % 10.1016/j.ejmech.2009.11.034
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 3.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 1584.9 nM None
Homo sapiens MAP kinase ERK2 Potency 5011.9 nM None
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 14125.4 nM None
Homo sapiens Monoamine oxidase A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens M-phase phosphoprotein 8 Potency 44668.4 nM None
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 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 Plasma fCmax 266.43 uM 10.1124/dmd.111.040758
Homo sapiens Prelamin-A/C Potency 6309.6 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Proton-coupled amino acid transporter 1 Ki 4400000.0 nM 10.1016/j.bmc.2011.08.058
Homo sapiens Proton-coupled amino acid transporter 1 pKi -0.64 mM 10.1016/j.bmc.2011.08.058
Homo sapiens Regulator of G-protein signaling 4 Potency 532.3 nM None
Homo sapiens Runt-related transcription factor 1/Core-binding factor subunit beta Potency 707.9 nM None
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 Survival motor neuron protein Potency 14125.4 nM None
Homo sapiens Thrombin AC50 3000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thyroid stimulating hormone receptor Potency 3981.1 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM None
Homo sapiens Vascular endothelial growth factor receptor 2 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 12.0 % 10.6019/CHEMBL4513141
Klebsiella pneumoniae Klebsiella pneumoniae MIC 8.0 ug.mL-1 10.1021/jm00156a021
Mus musculus Mus musculus Dose 45.0 % 10.1021/jm00175a002
Mus musculus Mus musculus Dose 64.0 % 10.1021/jm00175a002
Mus musculus Mus musculus ED50 1.25 mg.kg-1 10.1021/jm00050a001
Mus musculus Mus musculus ED50 3.0 mg.kg-1 10.1021/jm00050a001
Mycobacterium avium Mycobacterium avium GI 15.0 % 10.1016/j.bmcl.2011.11.114
Mycobacterium avium Mycobacterium avium GI 100.0 % 10.1016/j.bmcl.2011.11.114
Mycobacterium avium Mycobacterium avium GI nan None 10.1016/j.bmc.2012.05.004
Mycobacterium avium Mycobacterium avium MIC 3.12 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis Alanine racemase Inhibition 10.0 % 10.1021/ml400349n
Mycobacterium tuberculosis Alanine racemase Inhibition nan % 10.1021/ml400349n
Mycobacterium tuberculosis D-alanylalanine synthetase Activity nan None 10.1021/ml400349n
Mycobacterium tuberculosis D-alanylalanine synthetase Inhibition nan % 10.1021/ml400349n
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity nan None 10.1021/jm100568q
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity nan None 10.1021/ml400349n
Mycobacterium tuberculosis Mycobacterium tuberculosis EC50 12470.0 nM 10.1016/j.bmcl.2014.01.007
Mycobacterium tuberculosis Mycobacterium tuberculosis EC50 23550.0 nM 10.1016/j.bmcl.2012.12.069
Mycobacterium tuberculosis Mycobacterium tuberculosis EC50 24760.0 nM 10.1016/j.bmcl.2012.12.069
Mycobacterium tuberculosis Mycobacterium tuberculosis EC90 13.49 uM 10.1016/j.bmcl.2014.01.007
Mycobacterium tuberculosis Mycobacterium tuberculosis EC90 26.38 uM 10.1016/j.bmcl.2012.12.069
Mycobacterium tuberculosis Mycobacterium tuberculosis EC90 28.01 uM 10.1016/j.bmcl.2012.12.069
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 50.0 % 10.1016/j.bmc.2012.05.004
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 50.0 % 10.1016/j.bmcl.2011.11.114
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 50.0 % 10.1016/j.bmcl.2020.127351
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 60.0 % 10.1016/j.bmc.2012.05.004
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 60.0 % 10.1016/j.bmcl.2011.11.114
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 67.0 % 10.1016/j.bmcl.2020.127351
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 71.0 % 10.1016/j.bmcl.2020.127351
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 80.0 % 10.1016/j.bmc.2012.05.004
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 80.0 % 10.1016/j.bmcl.2011.11.114
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 100.0 % 10.1016/j.bmc.2012.05.004
Mycobacterium tuberculosis Mycobacterium tuberculosis GI 100.0 % 10.1016/j.bmcl.2011.11.114
Mycobacterium tuberculosis Mycobacterium tuberculosis GI nan None 10.1016/j.bmc.2012.05.004
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 12.47 ug.mL-1 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 12470.0 nM 10.1016/j.bmc.2016.09.044
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 12470.0 nM 10.1016/j.bmcl.2017.05.050
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 12470.0 nM 10.1016/j.ejmech.2013.12.013
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 12470.0 nM 10.1016/j.ejmech.2014.08.009
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 20800.0 nM 10.1016/j.bmcl.2016.03.066
Mycobacterium tuberculosis Mycobacterium tuberculosis IC50 20800.0 nM 10.1016/j.ejmech.2017.11.035
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 13.49 ug.mL-1 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 13490.0 nM 10.1016/j.bmc.2016.09.044
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 13490.0 nM 10.1016/j.bmcl.2017.05.050
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 13490.0 nM 10.1016/j.ejmech.2013.12.013
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 13490.0 nM 10.1016/j.ejmech.2014.08.009
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 33100.0 nM 10.1016/j.bmcl.2016.03.066
Mycobacterium tuberculosis Mycobacterium tuberculosis IC90 33100.0 nM 10.1016/j.ejmech.2017.11.035
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 50.0 % 10.1016/j.bmcl.2021.128261
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 50.0 % 10.1021/jm100165w
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 50.0 % 10.1021/jm100568q
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 51.0 % 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 67.0 % 10.1016/j.bmcl.2021.128261
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 67.0 % 10.1021/jm100568q
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 71.0 % 10.1016/j.bmcl.2021.128261
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 71.0 % 10.1021/jm100568q
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 80.0 % 10.1021/jm100165w
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 93.9 % 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 96.3 % 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 97.7 % 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis Inhibition 100.0 % 10.1021/jm100165w
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 3.12 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 8.0 ug.mL-1 10.1128/aac.00661-10
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 12.5 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 16.0 ug.mL-1 10.1128/aac.00661-10
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 50.0 ug.mL-1 10.1016/j.ejmech.2018.09.067
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 25000.0 nM 10.1016/j.bmc.2016.09.044
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 25000.0 nM 10.1016/j.bmcl.2017.05.050
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 25000.0 nM 10.1016/j.ejmech.2014.08.009
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 50000.0 nM 10.1016/j.bmcl.2016.03.066
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 50000.0 nM 10.1016/j.ejmech.2017.11.035
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 60500.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 63700.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 100000.0 nM 10.1016/j.bmcl.2012.12.069
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 120900.0 nM 10.1016/j.bmcl.2019.02.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 124800.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 128000.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 157000.0 nM 10.1021/acs.jmedchem.2c00227
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 167000.0 nM 10.1016/j.bmcl.2019.02.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 196500.0 nM 10.1016/j.bmcl.2019.02.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 241600.0 nM 10.1016/j.bmcl.2019.02.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 245100.0 nM 10.1016/j.bmcl.2019.02.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 1.0 ug.mL-1 10.1016/j.bmcl.2011.11.114
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.0 ug.mL-1 10.1016/j.bmc.2012.05.004
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.0 ug.mL-1 10.1016/j.bmcl.2011.11.114
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.0 ug.mL-1 10.1021/jm100165w
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.0 ug.mL-1 10.1021/jm100568q
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.1 ug.mL-1 10.1016/j.bmcl.2020.127351
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.1 ug.mL-1 10.1016/j.bmcl.2021.128261
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.2 ug.mL-1 10.1016/j.bmcl.2020.127351
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 5.2 ug.mL-1 10.1016/j.bmcl.2021.128261
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 4.8 ug.mL-1 10.1021/np400497f
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 4.9 ug.mL-1 10.1021/np400497f
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 5.0 ug.mL-1 10.1021/np400497f
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 6.02 ug.mL-1 10.1021/np400497f
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 10.2 ug.mL-1 10.1021/np400497f
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 25000.0 nM 10.1016/j.bmcl.2014.01.007
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 25000.0 nM 10.1016/j.ejmech.2013.09.061
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 37100.0 nM 10.1016/j.bmcl.2019.02.019
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 245000.0 nM 10.1016/j.ejmech.2016.07.039
Mycobacterium tuberculosis Mycobacterium tuberculosis Ratio 2.0 None 10.1021/ml400349n
Mycobacterium tuberculosis H37Rv Mycobacterium tuberculosis H37Rv Stability 10.0 % 10.1021/ml400349n
Mycolicibacterium fortuitum Mycolicibacterium fortuitum MIC 3.12 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 3.12 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC 105.0 ug.mL-1 10.1016/j.ejmech.2016.12.060
Plasmodium falciparum Plasmodium falciparum Potency 657.3 nM None
Plasmodium falciparum Plasmodium falciparum Potency 9528.3 nM None
Providencia alcalifaciens Providencia alcalifaciens MIC 8.0 ug.mL-1 10.1021/jm00156a021
Providencia rettgeri Providencia rettgeri MIC 128.0 ug.mL-1 10.1021/jm00156a021
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 60.23 % 10.6019/CHEMBL4513141
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 64.0 ug.mL-1 10.1021/jm00156a021
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 128.0 ug.mL-1 10.1021/jm00156a021
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 128.0 ug.mL-1 10.1128/aac.00845-07
Rattus norvegicus Bile salt export pump IC50 1000000.0 nM 10.1124/dmd.111.040758
Rattus norvegicus Glutamate NMDA receptor Activity nan None 10.1021/jm900363q
Rattus norvegicus Glutamate NMDA receptor EC50 2950.0 nM 10.1016/s0960-894x(99)00194-8
Rattus norvegicus Glutamate NMDA receptor IC50 2300.0 nM 10.1021/jm00050a001
Rattus norvegicus Glutamate [NMDA] receptor subunit epsilon 3 EC50 18100.0 nM 10.1021/jm00050a001
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 IC50 7370.0 nM 10.1016/s0960-894x(99)00194-8
Rattus norvegicus Muscarinic acetylcholine receptor M1 Potency 28183.8 nM None
Rattus norvegicus Thioredoxin reductase 1, cytoplasmic Potency 23.8 nM None
Serratia liquefaciens Serratia liquefaciens MIC 8.0 ug.mL-1 10.1021/jm00156a021
Serratia marcescens Serratia marcescens MIC 128.0 ug.mL-1 10.1021/jm00156a021
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 23.75 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 29.49 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 19952.62 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 IC50 20000.0 nM 10.6019/CHEMBL4651402
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -2.21 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.09 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.17 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index 1.427 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus Activity nan None 10.1128/aac.00166-09
Staphylococcus aureus Staphylococcus aureus Diameter 36.0 nm 10.1021/jm00175a002
Staphylococcus aureus Staphylococcus aureus ED50 2.2 ug 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus ED50 5.4 ug 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus ED50 40.0 ug 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus FC 3.13 None 10.1128/aac.00273-08
Staphylococcus aureus Staphylococcus aureus FC 3.41 None 10.1128/aac.00273-08
Staphylococcus aureus Staphylococcus aureus FC 4.08 None 10.1128/aac.00273-08
Staphylococcus aureus Staphylococcus aureus FC 4.6 None 10.1128/aac.00273-08
Staphylococcus aureus Staphylococcus aureus FC 15.63 None 10.1128/aac.00273-08
Staphylococcus aureus Staphylococcus aureus Inhibition 14.71 % 10.6019/CHEMBL4513141
Staphylococcus aureus Staphylococcus aureus MIC 0.75 ug.mL-1 10.1128/aac.01099-08
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1128/aac.00273-08
Staphylococcus aureus Staphylococcus aureus MIC 1.0 ug.mL-1 10.1128/aac.01099-08
Staphylococcus aureus Staphylococcus aureus MIC 8.0 ug.mL-1 10.1128/aac.01099-08
Staphylococcus aureus Staphylococcus aureus MIC 12.5 ug.mL-1 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus MIC 25.0 ug.mL-1 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1016/j.bmcl.2007.01.015
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1128/aac.00166-09
Staphylococcus aureus Staphylococcus aureus MIC 32.0 ug.mL-1 10.1128/aac.00845-07
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus MIC 50.0 ug.mL-1 10.1128/aac.00504-07
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1128/aac.00166-09
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1128/aac.00209-07
Staphylococcus aureus Staphylococcus aureus MIC 64.0 ug.mL-1 10.1128/aac.00845-07
Staphylococcus aureus Staphylococcus aureus MIC 100.0 ug.mL-1 10.1128/aac.00200-09
Staphylococcus aureus Staphylococcus aureus MIC 128.0 ug.mL-1 10.1128/aac.00209-07
Staphylococcus aureus Staphylococcus aureus MIC 313000.0 nM 10.1016/j.ejmech.2018.09.067
Staphylococcus epidermidis (strain ATCC 35984 / RP62A) UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase IC50 300000.0 nM 10.1021/jm00117a017
Streptomyces acidiscabies Streptomyces acidiscabies DIZ nan None 10.1584/jpestics.28.183
Streptomyces alboniger Streptomyces alboniger DIZ nan None 10.1584/jpestics.28.183
Streptomyces scabiei Streptomyces scabiei Activity 44.0 mm 10.1584/jpestics.28.183
Streptomyces scabiei Streptomyces scabiei DIZ nan None 10.1584/jpestics.28.183
Streptomyces scabiei Streptomyces scabiei IZ 24.0 mm 10.1584/jpestics.28.183
Trypanosoma brucei 6-phospho-1-fructokinase Potency 33807.8 nM None
None ADMET log10(%HIA +10) 1.919 None 10.1016/j.ejmech.2010.11.005
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 1.0 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 1.0 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) 5.4 % 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) 3.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 13.0 % 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 128.0 ug.mL-1 10.1021/jm00156a021
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 5.3 nM None
None NON-PROTEIN TARGET Potency 6.7 nM None
None NON-PROTEIN TARGET Potency 16.8 nM None
None NON-PROTEIN TARGET Potency 236.9 nM None
None NON-PROTEIN TARGET Potency 530.5 nM None
None NON-PROTEIN TARGET Potency 17782.8 nM None
None No relevant target CLogP nan None 10.1021/jm00129a016
None Unchecked Ac50 0.5623 uM None
None Unchecked Ac50 1.0 uM None
None Unchecked Ac50 1.585 uM None
None Unchecked Ac50 3.162 uM None
None Unchecked AC50 570.0 nM None
None Unchecked AC50 1000.0 nM None
None Unchecked AC50 1584.9 nM None
None Unchecked AC50 3162.3 nM None
None Unchecked Activity 0.12 mAU 10.1128/aac.00166-09
None Unchecked Activity 0.33 mAU 10.1128/aac.00166-09
None Unchecked Activity 30.0 mAU 10.1128/aac.00166-09
None Unchecked Activity 50.0 % 10.1021/jm900363q
None Unchecked Activity 100.0 mAU 10.1128/aac.00166-09
None Unchecked Activity 146.0 mAU 10.1128/aac.00166-09
None Unchecked Activity 181.0 mAU 10.1128/aac.00166-09
None Unchecked Activity 2255.0 mAU 10.1128/aac.00166-09
None Unchecked Activity 5087.0 mAU 10.1128/aac.00166-09
None Unchecked EC50 6309.57 nM 10.1021/jm900363q
None Unchecked Hepatotoxicity (acute) 2.0 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) 2.0 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) 1.0 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 250000.0 nM 10.1021/jm00121a030
None Unchecked IC50 314000.0 nM 10.1016/j.bmcl.2007.01.015
None Unchecked Inhibition 3.0 % 10.1016/j.bmc.2007.12.040
None Unchecked Inhibition nan % 10.1038/nchembio873
None Unchecked Ki 22000.0 nM 10.1021/jm800726b
None Unchecked Ki 25000.0 nM 10.1016/j.ejmech.2018.09.067
None Unchecked Ki 27000.0 nM 10.1016/j.bmc.2008.02.046
None Unchecked Ki 250000.0 nM 10.1021/jm00128a033
None Unchecked ME 122.0 % 10.1016/s0960-894x(99)00194-8
None Unchecked Potency 1995.3 nM None
None Unchecked Ratio 30.3 None 10.1128/aac.00845-07
None Unchecked Selectivity Index 17.0 None 10.1021/np400497f

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT000628 *N[C@@H](CCCC/N=C/c1c(COP(=O)(O)O)cnc(C)c1O)C(*)=O.N[C@@H]1CONC1=O>>Cc1ncc(COP(=O)(O)O)c(/C=N/[C@@H]2CON=C2O)c1O RXN-22544
AKRT017101 NC(=O)NOC[C@@H](N)C(=O)O>>N[C@@H]1CONC1=O RXN-14460