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Pleconaril

AlkaPlorer ID: AK065183

Synonym: None

IUPAC Name: 3-[3,5-dimethyl-4-[3-(3-methyl-1,2-oxazol-5-yl)propoxy]phenyl]-5-(trifluoromethyl)-1,2,4-oxadiazole

Structure

SMILES: CC1=NOC(CCCOC2=C(C)C=C(C3=NOC(C(F)(F)F)=N3)C=C2C)=C1

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InChI: InChI=1S/C18H18F3N3O3/c1-10-7-13(16-22-17(27-24-16)18(19,20)21)8-11(2)15(10)25-6-4-5-14-9-12(3)23-26-14/h7-9H,4-6H2,1-3H3

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InChIKey: KQOXLKOJHVFTRN-UHFFFAOYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Isatis tinctoria Isatis Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 381.354

TPSA？: 74.18

MolLogP？: 4.680260000000004

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 20000.0 nM 10.6019/CHEMBL4513161
Bovine viral diarrhea virus 1 Bovine viral diarrhea virus 1 EC50 nan None 10.1016/j.bmc.2015.09.035
Candida albicans Candida albicans MIC 20000.0 nM 10.6019/CHEMBL4513161
Canis lupus familiaris Canis familiaris AUC 11753.0 ng.hr.mL-1 10.1021/jm00008a014
Canis lupus familiaris Canis familiaris CL 12.83 mL.min-1.kg-1 10.1021/jm00008a014
Canis lupus familiaris Canis familiaris T1/2 27.0 hr 10.1021/jm00008a014
Chlorocebus sabaeus Vero CC50 1050.0 nM 10.1021/acs.jmedchem.0c00232
Chlorocebus sabaeus Vero TC50 15.4 umol/L 10.1021/acs.jnatprod.6b00585
Chlorocebus sabaeus Vero TC50 40.5 uM 10.1021/np500951s
Chlorocebus sabaeus Vero 76 CC50 83000.0 nM 10.1016/j.ejmech.2017.09.060
Chlorocebus sabaeus Vero 76 CC50 100000.0 nM 10.1016/j.ejmech.2017.12.083
Coxsackievirus A9 Coxsackievirus A9 EC50 33.0 nM 10.1021/ml400095m
Coxsackievirus B1 Coxsackievirus B1 EC50 130.0 nM 10.1016/j.bmcl.2017.05.030
Coxsackievirus B3 Coxsackievirus B3 EC50 2.0 nM 10.1021/acs.jmedchem.0c00232
Coxsackievirus B3 Coxsackievirus B3 EC50 13000.0 nM 10.1021/ml400095m
Coxsackievirus B3 Coxsackievirus B3 EC50 42800.0 nM 10.1016/j.bmcl.2017.05.030
Coxsackievirus B3 Coxsackievirus B3 IC50 1.0 nM 10.1021/acs.jnatprod.6b00585
Coxsackievirus B3 Coxsackievirus B3 IC50 2.5 nM 10.1021/np500951s
Coxsackievirus B3 Coxsackievirus B3 IC50 10.0 nM 10.1016/j.ejmech.2019.112007
Coxsackievirus B3 Coxsackievirus B3 IC50 300.0 nM 10.1021/np4005773
Coxsackievirus B3 Coxsackievirus B3 IC50 410.0 nM 10.1021/np3002833
Coxsackievirus B3 Coxsackievirus B3 IC50 2050.0 nM 10.1016/j.ejmech.2019.112007
Coxsackievirus B3 Coxsackievirus B3 IC50 3970.0 nM 10.1016/j.ejmech.2019.112007
Coxsackievirus B3 Coxsackievirus B3 IC50 nan None 10.1016/j.ejmech.2019.112007
Coxsackievirus B5 Coxsackievirus B5 EC50 5.0 nM 10.1016/j.bmcl.2015.04.006
Coxsackievirus B5 Coxsackievirus B5 EC50 5.0 nM 10.1016/j.ejmech.2017.12.083
Coxsackievirus B5 Coxsackievirus B5 EC50 8.0 nM 10.1016/j.bmc.2015.09.035
Cryptococcus neoformans Cryptococcus neoformans MIC 20000.0 nM 10.6019/CHEMBL4513161
dengue virus type 2 dengue virus type 2 EC50 nan None 10.1016/j.bmc.2015.09.035
Enterovirus Enterovirus EC50 136.0 nM 10.1021/jm030166l
Enterovirus Enterovirus IC50 30.0 nM 10.1016/j.ejmech.2019.06.008
Enterovirus A71 Enterovirus A71 EC50 13400.0 nM 10.1021/ml400095m
Enterovirus A71 Genome polyprotein EC50 100000.0 nM 10.1021/acsmedchemlett.7b00188
Enterovirus C Enterovirus C EC50 2200.0 nM 10.1016/j.bmcl.2015.04.006
Enterovirus C Enterovirus C EC50 2700.0 nM 10.1016/j.ejmech.2017.09.060
enterovirus D68 enterovirus D68 Activity nan None 10.1021/acs.jmedchem.2c01311
enterovirus D68 enterovirus D68 EC50 240.0 nM 10.1021/acs.jmedchem.2c01311
enterovirus D68 enterovirus D68 EC50 300.0 nM 10.1021/acs.jmedchem.2c01311
enterovirus D68 enterovirus D68 EC50 400.0 nM 10.1021/acs.jmedchem.2c01311
enterovirus D68 enterovirus D68 EC50 430.0 nM 10.1021/acs.jmedchem.2c01311
enterovirus D68 enterovirus D68 EC50 640.0 nM 10.1021/acs.jmedchem.2c01311
Escherichia coli Escherichia coli MIC 20000.0 nM 10.6019/CHEMBL4513161
Homo sapiens Cytochrome P450 Activity 35.0 % 10.1021/acs.jmedchem.0c02245
Homo sapiens Cytochrome P450 1A2 IC50 10000.0 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 1A2 IC50 50118.72 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 2C19 IC50 10000.0 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 2C19 IC50 50118.72 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 2C9 IC50 10000.0 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 2C9 IC50 50118.72 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 2D6 IC50 1258.93 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 2D6 IC50 50118.72 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 3A4 Activity nan None 10.1016/j.ejmech.2019.112007
Homo sapiens Cytochrome P450 3A4 IC50 6309.57 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Cytochrome P450 3A4 IC50 50118.72 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens H1-HeLa CC50 19700.0 nM 10.1021/acs.jmedchem.7b00175
Homo sapiens H1-HeLa CC50 19700.0 nM 10.1021/acsmedchemlett.8b00134
Homo sapiens H1-HeLa CC50 20800.0 nM 10.1016/j.bmcl.2022.128673
Homo sapiens H1-HeLa CC50 53500.0 nM 10.1016/j.bmcl.2017.05.030
Homo sapiens HEK293 CC50 20000.0 nM 10.6019/CHEMBL4513161
Homo sapiens HeLa CC50 12.6 ug.mL-1 10.1021/jm701494b
Homo sapiens HeLa CC50 25900.0 nM 10.1021/acs.jmedchem.7b00175
Homo sapiens HeLa CC50 26250.0 nM 10.1016/j.ejmech.2019.112007
Homo sapiens HeLa CC50 42800.0 nM 10.1016/j.bmcl.2017.05.030
Homo sapiens HeLa CC50 131000.0 nM 10.1021/acs.jnatprod.7b00648
Homo sapiens HeLa IC50 180.0 nM 10.1016/j.ejmech.2019.06.008
Homo sapiens HeLa logCC50 1.1 None 10.1021/jm0704806
Homo sapiens Histone deacetylase 6 Inhibition -15.63 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -3.38 % 10.6019/CHEMBL4808148
Homo sapiens MT4 CC50 nan None 10.1016/j.bmc.2015.09.035
Homo sapiens Plasma Fu 0.0013 None 10.1016/j.bmcl.2011.08.083
Homo sapiens Pregnane X receptor EC50 251.19 nM 10.1016/j.bmcl.2011.08.083
Homo sapiens Pregnane X receptor Emax 88.0 % 10.1016/j.bmcl.2011.08.083
Homo sapiens RD CC50 200000.0 nM 10.1021/acs.jmedchem.2c01311
Homo sapiens WI-38 Cytostatic concentration 30.0 ug ml-1 10.1021/jm050343d
Human alphaherpesvirus 1 Human alphaherpesvirus 1 EC50 nan None 10.1016/j.bmc.2015.09.035
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 nan None 10.1016/j.bmc.2015.09.035
Human orthopneumovirus Human orthopneumovirus EC50 nan None 10.1016/j.bmc.2015.09.035
Human rhinovirus 1A Human rhinovirus 1A IC50 0.02 ug.mL-1 10.1021/jm701494b
Human rhinovirus sp. Human rhinovirus A protease CC50 10000.0 nM 10.1021/jm010469k
Human rhinovirus sp. Human rhinovirus A protease EC50 58.0 nM 10.1021/jm010469k
Human rhinovirus sp. Human rhinovirus A protease K obs / 1 nan None 10.1021/jm030166l
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0232 ug.mL-1 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. EC50 0.02647 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.02933 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0304 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0338 ug.mL-1 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. EC50 0.034 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.03431 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.03716 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0374 ug.mL-1 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. EC50 0.04488 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0454 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0492 ug.mL-1 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. EC50 0.04963 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.05387 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0623 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.0698 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.07004 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.108 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.2241 ug.mL-1 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. EC50 0.3873 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 0.3876 ug.mL-1 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. EC50 0.4687 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. EC50 1.908 ug.mL-1 10.1016/j.bmcl.2005.02.054
Human rhinovirus sp. Human rhinovirus sp. Ratio EC50 2.1 None 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. Ratio EC50 6.0 None 10.1021/ml2002955
Human rhinovirus sp. Human rhinovirus sp. Ratio EC50 11.5 None 10.1021/ml2002955
Human rhinovirus sp. VP1 capsid protein Activity 0.0 % 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein Activity 25.0 % 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein Activity 100.0 % 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 4.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 11.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 15.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 30.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 167.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 490.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein EC50 128000.0 nM 10.1021/acs.jmedchem.8b00931
Human rhinovirus sp. VP1 capsid protein Inhibition nan % 10.1021/acs.jmedchem.8b00931
Klebsiella pneumoniae Klebsiella pneumoniae MIC 20000.0 nM 10.6019/CHEMBL4513161
Poliovirus 1 Poliovirus 1 EC50 2000.0 nM 10.1016/j.bmc.2015.09.035
Poliovirus 1 Poliovirus 1 EC50 24200.0 nM 10.1021/ml400095m
Poliovirus 2 Poliovirus 2 EC50 1084.0 nM 10.1021/ml400095m
Poliovirus 3 Poliovirus 3 EC50 84.0 nM 10.1021/ml400095m
Poliovirus 3 Poliovirus 3 EC50 510.0 nM 10.1016/j.bmcl.2017.05.030
Poliovirus 3 Poliovirus 3 EC50 1400.0 nM 10.1021/acs.jmedchem.7b00175
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20000.0 nM 10.6019/CHEMBL4513161
Rattus norvegicus Hepatocyte CL 20.0 uL.min-1.(10^6cells)-1 10.1016/j.bmcl.2011.08.083
Rattus norvegicus Plasma Fu 0.002 None 10.1016/j.bmcl.2011.08.083
rhinovirus A15 rhinovirus A15 EC50 0.0698 ug.mL-1 10.1021/jm0202876
rhinovirus A15 rhinovirus A15 EC50 166.0 nM 10.1021/ml400095m
rhinovirus A16 rhinovirus A16 Activity nan None 10.1021/acs.jmedchem.7b00175
rhinovirus A16 rhinovirus A16 EC50 0.108 ug.mL-1 10.1021/jm0202876
rhinovirus A16 rhinovirus A16 EC50 350.0 nM 10.1021/acs.jmedchem.7b00175
rhinovirus A16 rhinovirus A16 EC50 510.0 nM 10.1016/j.bmcl.2022.128673
rhinovirus A16 rhinovirus A16 EC50 570.0 nM 10.1021/jm701494b
rhinovirus A16 rhinovirus A16 IC50 0.02 ug.mL-1 10.1021/jm701494b
rhinovirus A16 rhinovirus A16 IC50 1000.0 nM 10.1016/j.bmcl.2011.08.083
rhinovirus A1B rhinovirus A1B EC50 240.0 nM 10.1016/j.bmcl.2022.128673
rhinovirus A2 rhinovirus A2 Activity 84.3 % 10.1021/jm701494b
rhinovirus A2 rhinovirus A2 EC50 0.02647 ug.mL-1 10.1021/jm0202876
rhinovirus A2 rhinovirus A2 EC50 7.0 nM 10.1021/ml400095m
rhinovirus A2 rhinovirus A2 EC50 40.0 nM 10.1021/jm701494b
rhinovirus A2 rhinovirus A2 EC50 80.0 nM 10.1016/j.bmcl.2022.128673
rhinovirus A2 rhinovirus A2 IC50 0.01 ug.mL-1 10.1021/jm701494b
rhinovirus A2 rhinovirus A2 IC50 40.0 nM 10.1016/j.ejmech.2019.112007
rhinovirus A2 rhinovirus A2 IC50 100.0 nM 10.1016/j.bmcl.2011.08.083
rhinovirus A2 rhinovirus A2 Inhibition 100.0 % 10.1021/jm701494b
rhinovirus A2 rhinovirus A2 logIC50 -1.7 None 10.1021/jm0704806
rhinovirus A21 rhinovirus A21 EC50 73.0 nM 10.1021/acs.jmedchem.7b00175
rhinovirus A21 rhinovirus A21 EC50 73.0 nM 10.1021/acsmedchemlett.8b00134
rhinovirus A21 rhinovirus A21 EC50 83.0 nM 10.1016/j.bmcl.2017.05.030
rhinovirus A21 rhinovirus A21 EC50 170.0 nM 10.1016/j.bmcl.2022.128673
rhinovirus A29 rhinovirus A29 EC50 0.0454 ug.mL-1 10.1021/jm0202876
rhinovirus A29 rhinovirus A29 EC50 26.0 nM 10.1021/ml400095m
rhinovirus A39 rhinovirus A39 EC50 0.04488 ug.mL-1 10.1021/jm0202876
rhinovirus A39 rhinovirus A39 EC50 44.0 nM 10.1021/ml400095m
rhinovirus A39 rhinovirus A39 EC50 100.0 nM 10.1021/acs.jnatprod.7b00648
rhinovirus A41 rhinovirus A41 EC50 655.0 nM 10.1021/ml400095m
rhinovirus A45 rhinovirus A45 EC50 1.908 ug.mL-1 10.1021/jm0202876
rhinovirus A45 rhinovirus A45 EC50 8900.0 nM 10.1021/ml400095m
rhinovirus A51 rhinovirus A51 EC50 0.0304 ug.mL-1 10.1021/jm0202876
rhinovirus A59 rhinovirus A59 EC50 0.3873 ug.mL-1 10.1021/jm0202876
rhinovirus A59 rhinovirus A59 EC50 471.0 nM 10.1021/ml400095m
rhinovirus A63 rhinovirus A63 EC50 0.0623 ug.mL-1 10.1021/jm0202876
rhinovirus A63 rhinovirus A63 EC50 85.0 nM 10.1021/ml400095m
rhinovirus A85 rhinovirus A85 EC50 0.034 ug.mL-1 10.1021/jm0202876
rhinovirus A85 rhinovirus A85 EC50 883.0 nM 10.1021/ml400095m
rhinovirus A89 rhinovirus A89 EC50 0.02933 ug.mL-1 10.1021/jm0202876
rhinovirus A89 rhinovirus A89 EC50 75.0 nM 10.1021/ml400095m
rhinovirus A9 rhinovirus A9 EC50 0.03716 ug.mL-1 10.1021/jm0202876
rhinovirus A9 rhinovirus A9 EC50 83.0 nM 10.1021/ml400095m
Rhinovirus B Rhinovirus B EC50 200.0 nM 10.1016/j.ejmech.2016.03.049
Rhinovirus B Rhinovirus B EC50 1400.0 nM 10.1016/j.bmcl.2022.128673
Rhinovirus B Rhinovirus B EC50 nan None 10.1016/j.bmcl.2022.128673
rhinovirus B14 rhinovirus B14 Activity 0.0 % 10.1021/acs.jmedchem.8b00931
rhinovirus B14 rhinovirus B14 Activity nan None 10.1016/j.bmcl.2022.128673
rhinovirus B14 rhinovirus B14 Activity nan None 10.1021/acs.jmedchem.7b00175
rhinovirus B14 rhinovirus B14 Activity nan None 10.1021/acs.jmedchem.8b00931
rhinovirus B14 rhinovirus B14 EC50 0.03 ug.mL-1 10.1016/j.bmcl.2010.12.001
rhinovirus B14 rhinovirus B14 EC50 0.03431 ug.mL-1 10.1021/jm0202876
rhinovirus B14 rhinovirus B14 EC50 75.0 nM 10.1021/acs.jmedchem.7b00175
rhinovirus B14 rhinovirus B14 EC50 92.0 nM 10.1021/acsmedchemlett.8b00134
rhinovirus B14 rhinovirus B14 EC50 177.0 nM 10.1021/ml400095m
rhinovirus B14 rhinovirus B14 EC50 200.0 nM 10.1016/j.bmcl.2022.128673
rhinovirus B14 rhinovirus B14 EC50 300.0 nM 10.1016/j.ejmech.2017.09.036
rhinovirus B14 rhinovirus B14 EC50 300.0 nM 10.1021/acs.jnatprod.7b00648
rhinovirus B14 rhinovirus B14 EC50 310.0 nM 10.1016/j.bmcl.2017.05.030
rhinovirus B14 rhinovirus B14 EC50 1493.0 nM 10.1021/acs.jmedchem.7b00175
rhinovirus B14 rhinovirus B14 EC50 2312.0 nM 10.1021/acs.jmedchem.7b00175
rhinovirus B14 rhinovirus B14 IC50 0.02 ug.mL-1 10.1021/jm701494b
rhinovirus B14 rhinovirus B14 IC50 70.0 nM 10.1016/j.ejmech.2019.112007
rhinovirus B14 rhinovirus B14 IC50 100.0 nM 10.1016/j.bmcl.2011.08.083
rhinovirus B14 rhinovirus B14 Ratio EC50 20.0 None 10.1021/acs.jmedchem.7b00175
rhinovirus B14 rhinovirus B14 Ratio EC50 31.0 None 10.1021/acs.jmedchem.7b00175
rhinovirus B5 rhinovirus B5 IC50 nan None 10.1016/j.ejmech.2019.112007
rhinovirus B70 rhinovirus B70 EC50 0.05387 ug.mL-1 10.1021/jm0202876
rhinovirus B70 rhinovirus B70 EC50 578.0 nM 10.1021/ml400095m
rhinovirus B72 rhinovirus B72 EC50 0.4687 ug.mL-1 10.1021/jm0202876
rhinovirus B72 rhinovirus B72 EC50 1800.0 nM 10.1021/ml400095m
rhinovirus B86 rhinovirus B86 EC50 0.07004 ug.mL-1 10.1021/jm0202876
rhinovirus B86 rhinovirus B86 EC50 89.0 nM 10.1021/ml400095m
rhinovirus B86 rhinovirus B86 EC50 290.0 nM 10.1016/j.bmcl.2022.128673
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 3.549 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 6.7 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 26.3 % 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 -2.6 % 10.21203/rs.3.rs-23951/v1
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.11 % 10.6019/CHEMBL4495565
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 -0.02 % 10.6019/CHEMBL4495565
Staphylococcus aureus Staphylococcus aureus MIC 20000.0 nM 10.6019/CHEMBL4513161
Vaccinia virus Vaccinia virus EC50 nan None 10.1016/j.bmc.2015.09.035
Vesicular stomatitis virus Vesicular stomatitis virus EC50 nan None 10.1016/j.bmc.2015.09.035
West Nile virus West Nile virus EC50 nan None 10.1016/j.bmc.2015.09.035
Yellow fever virus Yellow fever virus EC50 nan None 10.1016/j.bmc.2015.09.035
None ADMET CC50 50200.0 nM 10.1016/j.ejmech.2016.03.049
None ADMET CC50 70000.0 nM 10.1016/j.bmc.2015.09.035
None ADMET CC50 80000.0 nM 10.1016/j.bmcl.2015.04.006
None ADMET CC50 nan None 10.1016/j.bmc.2015.09.035
None ADMET CL 13.49 uL.min-1.(10^6cells)-1 10.6019/CHEMBL3301361
None ADMET CL 14.45 mL.min-1.g-1 10.6019/CHEMBL3301361
None ADMET CL 22.0 mL.min-1.g-1 10.1016/j.bmcl.2011.08.083
None ADMET Papp nan None 10.1016/j.bmcl.2011.08.083
None ADMET Ratio CC50/EC50 145.0 None 10.1016/j.bmcl.2022.128673
None ADMET Ratio CC50/EC50 156.0 None 10.1021/acs.jmedchem.2c01311
None ADMET Ratio CC50/EC50 161.0 None 10.1016/j.bmcl.2022.128673
None ADMET Ratio CC50/EC50 250.0 None 10.1021/acs.jmedchem.2c01311
None ADMET Ratio CC50/EC50 333.0 None 10.1021/acs.jmedchem.2c01311
None ADMET Ratio CC50/EC50 417.0 None 10.1021/acs.jmedchem.2c01311
None ADMET Ratio CC50/EC50 1705.0 None 10.1016/j.bmcl.2022.128673
None ADMET T1/2 2.5 hr 10.1021/jm00008a014
None Erythrocyte HC10 20.0 uM 10.6019/CHEMBL4513161
None Molecular identity unknown EC50 100000.0 nM 10.1021/ml400095m
None NON-PROTEIN TARGET Activity nan None 10.1016/j.ejmech.2016.03.049
None NON-PROTEIN TARGET EC50 nan None 10.1016/j.bmc.2015.09.035
None No relevant target LogD 4.5 None 10.1016/j.bmcl.2011.08.083
None No relevant target LogD7.4 3.63 None 10.6019/CHEMBL3301361
None No relevant target Solubility 2000.0 nM 10.1016/j.bmcl.2011.08.083
None No relevant target t1/2 nan None 10.1016/j.bmcl.2011.08.083
None Unchecked Ac50 5.012 uM None
None Unchecked Ac50 14.13 uM None
None Unchecked AC50 5011.9 nM None
None Unchecked AC50 14125.4 nM None
None Unchecked CC50 10000.0 nM 10.1021/acs.jmedchem.7b00175
None Unchecked CC50 131000.0 nM 10.1016/j.ejmech.2017.09.036
None Unchecked CC50 131000.0 nM 10.1021/acs.jmedchem.8b00931
None Unchecked EC50 5.0 nM 10.1016/j.ejmech.2017.09.060
None Unchecked EC50 9.4 nM 10.1021/acs.jmedchem.7b00175
None Unchecked EC50 9.4 nM 10.1021/acsmedchemlett.8b00134
None Unchecked EC50 13.0 nM 10.1016/j.bmcl.2017.05.030
None Unchecked EC50 17.0 nM 10.1016/j.bmcl.2022.128673
None Unchecked EC50 450.0 nM 10.1016/j.bmcl.2022.128673
None Unchecked EC50 nan None 10.1016/j.bmcl.2022.128673
None Unchecked logSI 2.8 None 10.1021/jm0704806
None Unchecked Ratio CC50/EC50 19.0 None 10.1021/acs.jmedchem.7b00175
None Unchecked Ratio CC50/EC50 35.0 None 10.1016/j.bmc.2015.09.035
None Unchecked Ratio CC50/EC50 210.0 None 10.1021/acs.jmedchem.7b00175
None Unchecked Ratio CC50/EC50 270.0 None 10.1021/acs.jmedchem.7b00175
None Unchecked Ratio CC50/EC50 437.0 None 10.1016/j.ejmech.2017.09.036
None Unchecked Ratio CC50/EC50 525.0 None 10.1021/acs.jmedchem.0c00232
None Unchecked Ratio CC50/EC50 2100.0 None 10.1021/acs.jmedchem.7b00175
None Unchecked Ratio CC50/EC50 4039.0 None 10.1021/acs.jmedchem.8b00931
None Unchecked Ratio CC50/EC50 8750.0 None 10.1016/j.bmc.2015.09.035
None Unchecked Ratio CC50/EC50 16000.0 None 10.1016/j.ejmech.2017.09.060
None Unchecked Ratio CC50/IC50 1260.0 None 10.1021/jm701494b
None Unchecked Selectivity Index 15400.0 None 10.1021/acs.jnatprod.6b00585
None Unchecked Selectivity Index 16200.0 None 10.1021/np500951s
None Unchecked Selectivity ratio 10.0 None 10.1021/jm701494b

Metabolism Information