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name Structure Reference Source Properties Activities Metabolism

Clofazimine

AlkaPlorer ID: AK322030

Synonym: None

IUPAC Name: N,5-bis(4-chlorophenyl)-3-propan-2-yliminophenazin-2-amine

Structure

SMILES: CC(C)/N=C1\C=C2C(=NC3=CC=CC=C3N2C2=CC=C(Cl)C=C2)C=C1NC1=CC=C(Cl)C=C1

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InChI: InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+

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InChIKey: WDQPAMHFFCXSNU-BGABXYSRSA-N

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Properties Information

Molecule Weight: 473.40700000000015

TPSA？: 42.21

MolLogP？: 7.489800000000005

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii Inhibition -0.68 % 10.6019/CHEMBL4513149
Acinetobacter baumannii Acinetobacter baumannii MIC 10000.0 nM 10.6019/CHEMBL4513141
Acinetobacter baumannii Acinetobacter baumannii MIC 20000.0 nM 10.6019/CHEMBL4513161
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Potency 31622.8 nM None
Candida albicans Candida albicans Inhibition 5.63 % 10.6019/CHEMBL4513149
Candida albicans Candida albicans MIC 10000.0 nM 10.6019/CHEMBL4513141
Candida albicans Candida albicans MIC 20000.0 nM 10.6019/CHEMBL4513161
Chlorocebus sabaeus Vero Activity nan None 10.1016/j.ejmech.2019.111778
Chlorocebus sabaeus Vero IC50 68.6 ug.mL-1 10.1021/jm300828h
Cryptococcus neoformans Cryptococcus neoformans Inhibition -11.17 % 10.6019/CHEMBL4513149
Cryptococcus neoformans Cryptococcus neoformans MIC 10000.0 nM 10.6019/CHEMBL4513141
Cryptococcus neoformans Cryptococcus neoformans MIC 20000.0 nM 10.6019/CHEMBL4513161
Escherichia coli Escherichia coli Inhibition 9.66 % 10.6019/CHEMBL4513149
Escherichia coli Escherichia coli MIC 10000.0 nM 10.6019/CHEMBL4513141
Escherichia coli Escherichia coli MIC 20000.0 nM 10.6019/CHEMBL4513161
Escherichia coli Escherichia coli MIC90 4200.0 nM 10.1021/acs.jmedchem.5b01797
Escherichia coli Escherichia coli MIC90 250000.0 nM 10.1021/acs.jmedchem.5b01797
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 12999.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Ataxin-2 Potency 3548.1 nM None
Homo sapiens ATP-binding cassette sub-family G member 2 IC50 3200.0 nM 10.1016/j.ejmech.2022.114346
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 acid receptor FXR AC50 16000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile acid receptor FXR AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump AC50 12000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Bile salt export pump IC50 12900.0 nM 10.1002/hep.27206
Homo sapiens Bile salt export pump IC50 12900.0 nM 10.1093/toxsci/kfq269
Homo sapiens Bile salt export pump IC50 12900.0 nM 10.1093/toxsci/kft176
Homo sapiens Bile salt export pump IC50 28700.0 nM 10.1023/a:1023278211849
Homo sapiens Bradykinin B2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens BT-20 IC50 19000.0 nM 10.1016/j.ejmech.2021.113562
Homo sapiens Canalicular multispecific organic anion transporter 1 IC50 10400.0 nM 10.1093/toxsci/kft176
Homo sapiens Canalicular multispecific organic anion transporter 2 IC50 21000.0 nM 10.1093/toxsci/kft176
Homo sapiens Cannabinoid CB1 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin A receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Cholecystokinin B receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Chromobox protein homolog 1 Potency 4466.8 nM None
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 2D6 AC50 2511.89 nM None
Homo sapiens Cytochrome P450 2D6 Potency 2511.9 nM None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Delta opioid receptor AC50 25999.8 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 8961.0 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 Estrogen receptor alpha AC50 130.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Eyes absent homolog 2 Potency 1901.5 nM None
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Geminin Potency 1258.9 nM None
Homo sapiens Ghrelin receptor AC50 920.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 34.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Glucocorticoid receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 Potency 4610.9 nM None
Homo sapiens HEK293 CC50 310.0 nM 10.6019/CHEMBL4513141
Homo sapiens HEK293 CC50 20000.0 nM 10.6019/CHEMBL4513161
Homo sapiens HERG AC50 958.1 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H1 receptor AC50 8562.7 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histamine H3 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Histone deacetylase 6 Inhibition -5.63 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -5.18 % 10.6019/CHEMBL4808148
Homo sapiens Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 Potency 2511.9 nM None
Homo sapiens Homo sapiens Activity nan None 10.1002/hep.27206
Homo sapiens Homo sapiens Cmax 4.461 nM 10.1093/toxsci/kft176
Homo sapiens Homo sapiens Cmax 1480.0 nM 10.1002/hep.27206
Homo sapiens Homo sapiens Css 0.088 uM 10.1093/toxsci/kft176
Homo sapiens Homo sapiens T1/2 1680.0 hr 10.1016/j.bmc.2014.10.035
Homo sapiens Huh-7 CC50 44700.0 nM 10.1016/j.ejmech.2022.114209
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 2511.9 nM None
Homo sapiens Hypoxia-inducible factor 1 alpha Potency 7943.3 nM None
Homo sapiens Importin subunit beta-1/Snurportin-1 Potency 100000.0 nM None
Homo sapiens Kappa opioid receptor AC50 14000.1 nM 10.1038/s41467-023-40064-9
Homo sapiens LXR-alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens LXR-beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Lysine-specific demethylase 4A Potency 7079.5 nM None
Homo sapiens MAP kinase ERK2 Potency 3162.3 nM None
Homo sapiens Melanocortin receptor 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Menin/Histone-lysine N-methyltransferase MLL Potency 3162.3 nM None
Homo sapiens MES-SA Activity 1.8 None 10.1021/jm0491851
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 MT4 CC50 6800.0 nM 10.1016/j.bmc.2014.10.035
Homo sapiens Multidrug resistance-associated protein 4 IC50 44500.0 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 12961.5 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 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 Nuclear receptor subfamily 1 group I member 3 AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Peroxisome proliferator-activated receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens P-glycoprotein 1 IC50 600.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 1000.0 nM 10.1006/bbrc.2001.6000
Homo sapiens P-glycoprotein 1 IC50 1100.0 nM 10.1006/bbrc.2001.6000
Homo sapiens Phosphodiesterase 3A AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Phosphodiesterase 4D AC50 17549.9 nM 10.1038/s41467-023-40064-9
Homo sapiens Plasma Cp 1.5 uM 10.1016/j.ejmech.2015.01.065
Homo sapiens Plasma Cp 2.1 uM 10.1016/j.ejmech.2015.01.065
Homo sapiens Plasma Cp 3.0 uM 10.1016/j.ejmech.2015.01.065
Homo sapiens Plasma Cp 8.5 uM 10.1016/j.ejmech.2015.01.065
Homo sapiens Porphobilinogen deaminase Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Pregnane X receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Prelamin-A/C Potency 11220.2 nM None
Homo sapiens Progesterone receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Retinoic acid receptor alpha AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Retinoic acid receptor beta AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Retinoic acid receptor gamma 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 20000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Thromboxane A2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Transcriptional regulator ERG Potency 35481.3 nM None
Homo sapiens Transcriptional regulator ERG Potency 70794.6 nM None
Homo sapiens Type-1 angiotensin II receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 12995.3 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16360.1 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 15848.9 nM None
Homo sapiens Vasopressin V1a receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vasopressin V2 receptor AC50 30000.0 nM 10.1038/s41467-023-40064-9
Homo sapiens Vitamin D receptor Potency 28183.8 nM None
Klebsiella pneumoniae Klebsiella pneumoniae Inhibition 13.39 % 10.6019/CHEMBL4513149
Klebsiella pneumoniae Klebsiella pneumoniae MIC 10000.0 nM 10.6019/CHEMBL4513141
Klebsiella pneumoniae Klebsiella pneumoniae MIC 20000.0 nM 10.6019/CHEMBL4513161
Leishmania braziliensis Leishmania braziliensis IC50 nan None 10.1016/j.bmc.2014.11.028
Leishmania donovani Leishmania donovani IC50 950.0 nM 10.6019/CHEMBL3392926
Leishmania donovani Leishmania donovani IC50 22390.0 nM 10.6019/CHEMBL3392926
Leishmania infantum Leishmania infantum IC50 4480.0 nM 10.1016/j.bmc.2014.11.028
Leishmania tropica Leishmania tropica IC50 2960.0 nM 10.1016/j.bmc.2014.11.028
Lyssavirus rabies Lyssavirus rabies EC50 2280.0 nM 10.1016/j.ejmech.2022.114209
Mus musculus Mus musculus Activity nan None 10.1021/jm300828h
Mus musculus Mus musculus AUC 6960.0 ng.hr.mL-1 10.1021/jm300828h
Mus musculus Mus musculus Cmax 802.69 nM 10.1021/jm300828h
Mus musculus Mus musculus LD50 5.0 g/Kg 10.1016/j.ejmech.2015.01.065
Mus musculus Mus musculus LD50 3000.0 mg.kg-1 10.1021/jm300828h
Mus musculus Mus musculus T1/2 29.74 hr 10.1021/jm300828h
Mycobacterium avium Mycobacterium avium MIC 4230.0 nM 10.1016/j.bmc.2014.10.035
Mycobacterium avium complex sp. Mycobacterium avium complex sp. MIC 0.12 ug.mL-1 10.1021/np400915p
Mycobacterium leprae Mycobacterium leprae Inhibition 70.0 % 10.1016/j.bmc.2019.04.032
Mycobacterium leprae Mycobacterium leprae Inhibition 94.0 % 10.1016/j.bmc.2019.04.032
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity 2.2 log10CFU 10.1021/acs.jmedchem.2c00227
Mycobacterium tuberculosis Mycobacterium tuberculosis Activity nan None 10.1128/aac.00550-09
Mycobacterium tuberculosis Mycobacterium tuberculosis FC 2.0 None 10.1128/aac.00550-09
Mycobacterium tuberculosis Mycobacterium tuberculosis log10cfu 3.54 None 10.1021/jm300828h
Mycobacterium tuberculosis Mycobacterium tuberculosis log10cfu 6.33 None 10.1016/j.ejmech.2014.08.066
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.1 ug.mL-1 10.1128/aac.00550-09
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.108 ug.mL-1 10.1016/j.ejmech.2014.08.066
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.12 ug.mL-1 10.1016/j.bmc.2023.117212
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.12 ug.mL-1 10.1016/j.ejmech.2014.08.066
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.12 ug.mL-1 10.1016/j.ejmech.2017.06.005
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.12 ug.mL-1 10.1021/jm300828h
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 0.12 ug.mL-1 10.1021/np400915p
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1.0 ug.mL-1 10.1021/acs.jmedchem.9b02075
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1.209 ug.mL-1 10.1016/j.ejmech.2014.08.066
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 2.0 ug.mL-1 10.1016/s0960-894x(03)00241-5
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 125.0 nM 10.1016/j.ejmech.2014.05.069
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 125.0 nM 10.1016/j.ejmech.2016.11.041
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 250.0 nM 10.1016/j.ejmech.2014.05.069
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 250.0 nM 10.1016/j.ejmech.2016.11.041
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 500.0 nM 10.1016/j.ejmech.2016.11.041
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 500.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 700.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 800.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1000.0 nM 10.1016/j.ejmech.2014.05.069
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1060.0 nM 10.1016/j.bmc.2014.10.035
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 1500.0 nM 10.1128/aac.00055-06
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 2000.0 nM 10.1016/j.ejmech.2016.11.041
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 8000.0 nM 10.1016/j.ejmech.2014.05.069
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 16000.0 nM 10.1016/j.ejmech.2014.05.069
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC50 200.0 nM 10.1021/acs.jmedchem.1c01383
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 800.0 nM 10.1021/acs.jmedchem.1c01383
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.125 uM 10.1016/j.bmc.2017.08.010
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.125 uM 10.1021/acs.jmedchem.5b00608
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.125 uM 10.1021/acs.jmedchem.9b00912
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.25 uM 10.1016/j.bmc.2017.08.010
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.25 uM 10.1021/acs.jmedchem.5b00608
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.25 uM 10.1021/acs.jmedchem.9b00912
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.5 uM 10.1016/j.bmc.2017.08.010
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.5 uM 10.1021/acs.jmedchem.5b00608
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 0.5 uM 10.1021/acs.jmedchem.9b00912
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 2.0 uM 10.1016/j.bmc.2017.08.010
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 2.0 uM 10.1021/acs.jmedchem.5b00608
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC>99 2.0 uM 10.1021/acs.jmedchem.9b00912
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG Activity 15.0 % 10.1128/aac.00550-09
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG Activity nan None 10.1128/aac.00550-09
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG MIC 0.025 ug.mL-1 10.1128/aac.00550-09
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG MIC 0.1 ug.mL-1 10.1128/aac.00550-09
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG MIC50 200.0 nM 10.1021/acs.jmedchem.1c01383
Mycobacterium tuberculosis variant bovis BCG Mycobacterium tuberculosis variant bovis BCG MIC90 400.0 nM 10.1021/acs.jmedchem.1c01383
Mycolicibacterium smegmatis Mycolicibacterium smegmatis Concentration 0.5 ug ml-1 10.1021/jm00398a013
Mycolicibacterium smegmatis Mycolicibacterium smegmatis Concentration 1.5 ug ml-1 10.1021/jm00398a013
Mycolicibacterium smegmatis Mycolicibacterium smegmatis Concentration 30.0 ug ml-1 10.1021/jm00398a013
Mycolicibacterium smegmatis Mycolicibacterium smegmatis MIC>90 1.1 ug ml-1 10.1021/np400145u
Naegleria gruberi Naegleria gruberi Inhibition 67.9 % 10.6019/CHEMBL4513101
Plasmodium falciparum Plasmodium falciparum IC50 4100.0 nM 10.6019/CHEMBL3392926
Plasmodium falciparum Plasmodium falciparum IC50 4820.0 nM 10.1016/j.bmc.2014.11.028
Plasmodium falciparum Plasmodium falciparum IC50 7020.0 nM 10.1016/j.bmc.2014.11.028
Plasmodium falciparum Plasmodium falciparum Potency 2869.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 5102.8 nM None
Plasmodium falciparum Plasmodium falciparum Ratio IC50 1.5 None 10.1016/j.bmc.2014.11.028
Pseudomonas aeruginosa Pseudomonas aeruginosa Inhibition 6.99 % 10.6019/CHEMBL4513149
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 10000.0 nM 10.6019/CHEMBL4513141
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20000.0 nM 10.6019/CHEMBL4513161
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC90 8400.0 nM 10.1021/acs.jmedchem.5b01797
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC90 250000.0 nM 10.1021/acs.jmedchem.5b01797
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 20000.0 nM 10.1038/s41467-023-40064-9
Rattus norvegicus GABA receptor alpha-1 subunit AC50 29000.1 nM 10.1038/s41467-023-40064-9
Rattus norvegicus Glutamate (NMDA) receptor subunit zeta 1 AC50 21999.9 nM 10.1038/s41467-023-40064-9
Rattus norvegicus H9c2 Activity nan None 10.1016/j.ejmech.2015.01.065
Rattus norvegicus INS1 AC50 2058.0 nM None
Rattus norvegicus Liver IC50 nan None 10.1002/hep.27206
Rattus norvegicus Peripheral myelin protein 22 Potency 6911.1 nM None
Rattus norvegicus Voltage-gated L-type calcium channel alpha-1C subunit AC50 5000.0 nM 10.1038/s41467-023-40064-9
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 15.66 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 21.09 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 EC50 10000.0 nM 10.1016/j.ejmech.2022.114209
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Hit score 0.5936 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 0.37 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 0.51 % 10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition 4.74 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.1058 None 10.1101/2020.04.03.023846
Severe acute respiratory syndrome coronavirus 2 Spike glycoprotein Activity nan None 10.1016/j.ejmech.2022.114209
Severe acute respiratory syndrome coronavirus 2 Spike glycoprotein Kd 3820.0 nM 10.1016/j.ejmech.2022.114209
Staphylococcus aureus Staphylococcus aureus Inhibition 59.44 % 10.6019/CHEMBL4513149
Staphylococcus aureus Staphylococcus aureus MIC 10000.0 nM 10.6019/CHEMBL4513141
Staphylococcus aureus Staphylococcus aureus MIC 20000.0 nM 10.6019/CHEMBL4513161
Streptococcus Streptococcus EC50 36884.0 nM None
Streptococcus pyogenes serotype M1 Streptokinase A EC50 1243.0 nM None
Streptococcus pyogenes serotype M1 Streptokinase A EC50 2281.0 nM None
Streptococcus sp. 'group A' Streptococcus sp. 'group A' EC50 1862.0 nM None
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 7630.0 nM 10.6019/CHEMBL3392926
Trypanosoma cruzi Cruzipain IC50 6000.0 nM 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Cruzipain IC50 6000.0 nM 10.1021/jm100254w
Trypanosoma cruzi Cruzipain IC50 40000.0 nM 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Cruzipain IC50 40000.0 nM 10.1021/jm100254w
Trypanosoma cruzi Cruzipain Inhibition nan % 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Trypanosoma cruzi Activity 0.0 % 10.1016/j.ejmech.2019.111778
Trypanosoma cruzi Trypanosoma cruzi Activity 1.0 None 10.1016/j.ejmech.2019.111778
Trypanosoma cruzi Trypanosoma cruzi Activity nan None 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Trypanosoma cruzi Activity nan None 10.1016/j.ejmech.2019.111778
Trypanosoma cruzi Trypanosoma cruzi FC 3.0 None 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Trypanosoma cruzi IC50 38230.0 nM 10.6019/CHEMBL3392926
Trypanosoma cruzi Trypanosoma cruzi Inhibition 40.0 % 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Trypanosoma cruzi Inhibition nan % 10.1016/j.ejmech.2015.01.065
Trypanosoma cruzi Trypanosoma cruzi LC50 10600.0 nM 10.1016/j.ejmech.2015.01.065
None ADMET Activity nan None 10.1016/j.ejmech.2019.111778
None ADMET CC50 18600.0 nM 10.1016/j.bmc.2014.10.035
None ADMET CC50 100000.0 nM 10.1016/j.bmc.2014.10.035
None ADMET IC50 18590.0 nM 10.1016/j.bmc.2014.11.028
None ADMET PPB 99.63 % 10.6019/CHEMBL3301361
None ADMET Selectivity Index 4.5 None 10.1016/j.ejmech.2022.114209
None ADMET Selectivity Index 141.0 None 10.1016/j.ejmech.2022.114209
None Erythrocyte HC10 20.0 uM 10.6019/CHEMBL4513161
None Hepatotoxicity Alkaline Phosphatase Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Index Value 76.9 None 10.2174/1570163043334794
None Hepatotoxicity Alkaline Phosphatase Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Active 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Marginal 0.0 None 10.2174/1570163043334794
None Hepatotoxicity Composite Activity - Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Index Value 51.3 None 10.2174/1570163043334794
None Hepatotoxicity GGT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity Hepatotoxicity nan None 10.1021/tx900326k
None Hepatotoxicity HepSE_bilirubinemia 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 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatic necrosis 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatitis 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_hepatomegaly 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_jaundice 1.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver disease 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver fatty 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity HepSE_liver function tests abnormal 0.0 None 10.1371/journal.pcbi.1002310
None Hepatotoxicity LDH Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Index Value 25.6 None 10.2174/1570163043334794
None Hepatotoxicity LDH Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Index Value 76.9 None 10.2174/1570163043334794
None Hepatotoxicity SGOT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Activity Score nan None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Index Value 102.6 None 10.2174/1570163043334794
None Hepatotoxicity SGPT Increase - Number of Reports 4.0 None 10.2174/1570163043334794
None NON-PROTEIN TARGET fAUC/MIC 1.0 None 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET fCmax/MIC 0.02 None 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET fT>MIC 0.0 % 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET Hepatotoxicity (acute) 5.6 % 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) 2.0 None 10.1016/s0399-8320(04)95062-2
None NON-PROTEIN TARGET Hepatotoxicity (moderate) 16.0 % 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 IC50 6340.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET IC50 9970.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET IC50 10650.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET Potency 6.7 nM None
None NON-PROTEIN TARGET Potency 1495.0 nM None
None NON-PROTEIN TARGET RatioAUC/MIC 20.0 None 10.1016/j.bmcl.2013.07.006
None NON-PROTEIN TARGET %T>MIC 0.0 % 10.1016/j.bmcl.2013.07.006
None No relevant target Activity 10.0 uM 10.1021/jm100254w
None No relevant target Activity 103.7 nm 10.1021/jm100254w
None No relevant target Activity 356.1 nm 10.1021/jm100254w
None No relevant target Activity 600.0 uM 10.1021/jm100254w
None No relevant target Activity nan None 10.1021/jm100254w
None No relevant target LogD 6.36 None 10.1016/j.bmc.2014.10.035
None No relevant target LogD7.4 3.17 None 10.6019/CHEMBL3301361
None No relevant target LogP 5.34 None 10.1021/jm300828h
None No relevant target pKa_B1 8.8 None 10.6019/CHEMBL3301361
None No relevant target Solubility 700.0 nM 10.6019/CHEMBL3301361
None Phospholipidosis Phospholipidosis nan None 10.1080/15376510701857262
None Unchecked Activity 88.0 % 10.1021/acsmedchemlett.0c00521
None Unchecked Average IC90 0.23 uM None
None Unchecked Average IC90 0.31 uM None
None Unchecked Average IC90 0.36 uM None
None Unchecked Average IC90 0.396 uM None
None Unchecked CC50 2200.0 nM None
None Unchecked CC50 4700.0 nM None
None Unchecked CC50 10200.0 nM None
None Unchecked CC50 323000.0 nM 10.1016/j.ejmech.2022.114209
None Unchecked Hepatotoxicity (acute) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (association with vascular disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (choleostasis) 1.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (chronic liver disease) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cirrhosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (comment) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (cytolytic) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (malignant tumour) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (severe hepatitis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (steatosis) 0.0 None 10.1016/s0399-8320(04)95062-2
None Unchecked Hepatotoxicity (successful reintroduction) nan None 10.1016/s0399-8320(04)95062-2
None Unchecked IC50 391.0 nM None
None Unchecked IC50 6000.0 nM 10.1016/j.ejmech.2020.112275
None Unchecked IC50 7000.0 nM 10.1016/j.ejmech.2020.112275
None Unchecked IC50 7200.0 nM 10.1016/j.ejmech.2021.113562
None Unchecked IC50 600000.0 nM 10.1021/acsmedchemlett.0c00521
None Unchecked Kd 280.0 nM 10.1016/j.ejmech.2022.114209
None Unchecked Potency 3381.4 nM None
None Unchecked Potency 10000.0 nM None
None Unchecked Potency 12589.3 nM None
None Unchecked Ratio 0.002 None 10.1093/toxsci/kft176
None Unchecked Ratio 0.004 None 10.1093/toxsci/kft176
None Unchecked Ratio 0.007 None 10.1093/toxsci/kft176
None Unchecked Ratio 0.008 None 10.1093/toxsci/kft176
None Unchecked Ratio 1.0 None 10.1016/j.bmcl.2013.07.006
None Unchecked Ratio IC50 2.6 None 10.1016/j.bmc.2014.11.028
None Unchecked Ratio IC50 2.6 None 10.1016/j.ejmech.2021.113562
None Unchecked Ratio IC50 3.9 None 10.1016/j.bmc.2014.11.028
None Unchecked Ratio IC50 4.2 None 10.1016/j.bmc.2014.11.028
None Unchecked Ratio IC50 6.3 None 10.1016/j.bmc.2014.11.028
None Unchecked Ratio IC50 nan None 10.1016/j.bmc.2014.11.028
None Unchecked Selectivity Index 6.41 None 10.1016/j.bmc.2014.10.035
None Unchecked Selectivity Index 17.55 None 10.1016/j.bmc.2014.10.035
None Unchecked Selectivity Index 94.0 None 10.1016/j.bmc.2014.10.035
None Unchecked Selectivity Index 572.0 None 10.1021/jm300828h

Metabolism Information