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name Structure Reference Source Properties Activities Metabolism

Ketoconazole

AlkaPlorer ID: AK054638

Synonym: None

IUPAC Name: 1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone

Structure

SMILES: CC(=O)N1CCN(C2=CC=C(OC[C@H]3CO[C@](CN4C=CN=C4)(C4=CC=C(Cl)C=C4Cl)O3)C=C2)CC1

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InChI: InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1

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InChIKey: XMAYWYJOQHXEEK-OZXSUGGESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Microsphaeropsis sp. Microsphaeropsis Didymellaceae Pleosporales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 531.4399999999999

TPSA？: 69.06

MolLogP？: 4.205800000000003

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Acinetobacter baumannii Acinetobacter baumannii MIC 10000.0 nM 10.6019/CHEMBL4513141
Alternaria alternata Alternaria alternata MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
Alternaria alternata Alternaria alternata MIC 12.5 ug.mL-1 10.1016/j.ejmech.2021.114057
Alternaria brassicae Alternaria brassicae MIC 12.5 ug.mL-1 10.1016/j.ejmech.2021.114057
Alternaria brassicicola Alternaria brassicicola MIC 3.1 ug.mL-1 10.1021/acs.jnatprod.8b01030
Alternaria sp. 'fragaria' Alternaria sp. 'fragaria' MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
Aspergillus flavus Aspergillus flavus IZ 18.5 mm 10.1039/d2md00076h
Aspergillus fumigatus Aspergillus fumigatus IZ 23.0 mm 10.1016/j.ejmech.2019.03.023
Aspergillus fumigatus Aspergillus fumigatus IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Aspergillus fumigatus Aspergillus fumigatus MFC 0.94 mM 10.1016/j.bmcl.2020.127368
Aspergillus fumigatus Aspergillus fumigatus MFC 95.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Aspergillus fumigatus Aspergillus fumigatus MFC 95.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus fumigatus Aspergillus fumigatus MFC99.5 95.0 10'-2microM 10.1016/j.bmc.2018.08.004
Aspergillus fumigatus Aspergillus fumigatus MFC99.5 95.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus fumigatus Aspergillus fumigatus MIC 16.6 ug.mL-1 10.1016/j.ejmech.2019.03.021
Aspergillus fumigatus Aspergillus fumigatus MIC 38.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus fumigatus Aspergillus fumigatus MIC 38.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus fumigatus Aspergillus fumigatus MIC 380.0 nM 10.1016/j.bmc.2018.08.004
Aspergillus fumigatus Aspergillus fumigatus MIC 380.0 nM 10.1016/j.ejmech.2019.04.046
Aspergillus fumigatus Aspergillus fumigatus MIC 380000.0 nM 10.1016/j.bmcl.2020.127368
Aspergillus fumigatus Aspergillus fumigatus MIC50 8.0 ug.mL-1 10.1021/acs.jmedchem.2c00878
Aspergillus fumigatus Aspergillus fumigatus MIC50 8.0 ug.mL-1 10.1021/acs.jmedchem.2c01451
Aspergillus niger Aspergillus niger Activity 36.0 mm 10.1016/j.ejmech.2022.114255
Aspergillus niger Aspergillus niger IZ 18.0 mm 10.1016/j.bmcl.2017.08.017
Aspergillus niger Aspergillus niger IZ 23.0 mm 10.1016/j.ejmech.2019.03.023
Aspergillus niger Aspergillus niger IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Aspergillus niger Aspergillus niger IZ 29.0 mm 10.1016/j.ejmech.2017.12.067
Aspergillus niger Aspergillus niger IZ 31.0 mm 10.1016/j.ejmech.2017.11.093
Aspergillus niger Aspergillus niger IZ 31.0 mm 10.1016/j.ejmech.2017.12.067
Aspergillus niger Aspergillus niger IZ 33.0 mm 10.1016/j.ejmech.2017.11.093
Aspergillus niger Aspergillus niger IZ 34.0 mm 10.1016/j.ejmech.2017.12.067
Aspergillus niger Aspergillus niger IZ 36.0 mm 10.1016/j.ejmech.2017.11.093
Aspergillus niger Aspergillus niger IZ 37.0 mm 10.1016/j.ejmech.2017.12.067
Aspergillus niger Aspergillus niger MFC 0.94 mM 10.1016/j.bmcl.2020.127368
Aspergillus niger Aspergillus niger MFC 95.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Aspergillus niger Aspergillus niger MFC 95.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus niger Aspergillus niger MFC99.5 95.0 10'-2microM 10.1016/j.bmc.2018.08.004
Aspergillus niger Aspergillus niger MFC99.5 95.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus niger Aspergillus niger MIC 6.25 ug 10.1016/j.ejmech.2017.12.067
Aspergillus niger Aspergillus niger MIC 6.25 ug.mL-1 10.1016/j.ejmech.2017.11.093
Aspergillus niger Aspergillus niger MIC 12.5 ug.mL-1 10.1016/j.bmcl.2017.08.017
Aspergillus niger Aspergillus niger MIC 38.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus niger Aspergillus niger MIC 38.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus niger Aspergillus niger MIC 135.6 ug.mL-1 10.1016/j.ejmech.2017.07.009
Aspergillus niger Aspergillus niger MIC 380.0 nM 10.1016/j.bmc.2018.08.004
Aspergillus niger Aspergillus niger MIC 380.0 nM 10.1016/j.ejmech.2019.04.046
Aspergillus niger Aspergillus niger MIC 380000.0 nM 10.1016/j.bmcl.2020.127368
Aspergillus ochraceus Aspergillus ochraceus MFC 0.38 mM 10.1016/j.bmcl.2020.127368
Aspergillus ochraceus Aspergillus ochraceus MFC 95.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Aspergillus ochraceus Aspergillus ochraceus MFC 95.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus ochraceus Aspergillus ochraceus MFC99.5 38.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus ochraceus Aspergillus ochraceus MFC99.5 95.0 10'-2microM 10.1016/j.bmc.2018.08.004
Aspergillus ochraceus Aspergillus ochraceus MIC 28.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus ochraceus Aspergillus ochraceus MIC 38.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus ochraceus Aspergillus ochraceus MIC 380.0 nM 10.1016/j.bmc.2018.08.004
Aspergillus ochraceus Aspergillus ochraceus MIC 380.0 nM 10.1016/j.ejmech.2019.04.046
Aspergillus ochraceus Aspergillus ochraceus MIC 280000.0 nM 10.1016/j.bmcl.2020.127368
Aspergillus versicolor Aspergillus versicolor MFC 0.94 mM 10.1016/j.bmcl.2020.127368
Aspergillus versicolor Aspergillus versicolor MFC 380.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Aspergillus versicolor Aspergillus versicolor MFC 380.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus versicolor Aspergillus versicolor MFC99.5 95.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus versicolor Aspergillus versicolor MFC99.5 380.0 10'-2microM 10.1016/j.bmc.2018.08.004
Aspergillus versicolor Aspergillus versicolor MIC 38.0 10'-2 umol/ml 10.1039/C7MD00334J
Aspergillus versicolor Aspergillus versicolor MIC 285.0 10'-2mmol/ml 10.1039/C8MD00076J
Aspergillus versicolor Aspergillus versicolor MIC 2850.0 nM 10.1016/j.bmc.2018.08.004
Aspergillus versicolor Aspergillus versicolor MIC 2850.0 nM 10.1016/j.ejmech.2019.04.046
Aspergillus versicolor Aspergillus versicolor MIC 380000.0 nM 10.1016/j.bmcl.2020.127368
Bacillus cereus Bacillus cereus IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Bacillus subtilis Bacillus subtilis IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Bacillus subtilis Bacillus subtilis MIC 100.0 ug.mL-1 10.1016/j.ejmech.2019.111744
Botryosphaeria dothidea Botryosphaeria dothidea MIC 3.1 ug.mL-1 10.1021/acs.jnatprod.8b01030
Botrytis cinerea Botrytis cinerea MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
Candida albicans Candida albicans Activity 1.1 % 10.1016/j.ejmech.2017.12.020
Candida albicans Candida albicans Activity 11.2 % 10.1016/j.ejmech.2017.12.020
Candida albicans Candida albicans Activity 35.3 % 10.1016/j.ejmech.2017.12.020
Candida albicans Candida albicans Activity 52.4 % 10.1016/j.ejmech.2017.12.020
Candida albicans Candida albicans Activity nan None 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans IZ 20.5 mm 10.1039/d2md00076h
Candida albicans Candida albicans IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Candida albicans Candida albicans IZ 24.0 mm 10.1016/j.ejmech.2019.03.023
Candida albicans Candida albicans IZ 26.0 mm 10.1016/j.ejmech.2019.03.023
Candida albicans Candida albicans IZ 28.0 mm 10.1016/j.bmcl.2016.07.036
Candida albicans Candida albicans MFC 16.6 uM 10.1016/j.bmcl.2020.127234
Candida albicans Candida albicans MFC99.5 56.0 10'-2 umol/ml 10.1039/C7MD00334J
Candida albicans Candida albicans MFC99.5 94.0 10'-2microM 10.1016/j.bmc.2018.08.004
Candida albicans Candida albicans MFC99.9 1.0 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MFC99.9 2.0 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MFC99.9 3.9 ug ml-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MFC99.9 7.8 ug ml-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MFC99.9 62.5 ug ml-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MFC99.9 64.0 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MFC99.9 125.0 ug ml-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MFC99.9 250.0 ug ml-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MFC99.9 500.0 ug ml-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MFC99.9 nan None 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.0c00144
Candida albicans Candida albicans MIC 0.97 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 1.95 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 2.0 ug.mL-1 10.1016/j.ejmech.2017.09.026
Candida albicans Candida albicans MIC 3.9 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 7.8 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 15.6 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 25.0 ug.mL-1 10.1016/j.ejmech.2019.03.023
Candida albicans Candida albicans MIC 31.25 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 38.0 10'-2 umol/ml 10.1039/C7MD00334J
Candida albicans Candida albicans MIC 62.2 ug.mL-1 10.1016/j.ejmech.2017.07.009
Candida albicans Candida albicans MIC 62.3 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 100.0 ug.mL-1 10.1016/j.ejmech.2019.111744
Candida albicans Candida albicans MIC 156.3 nM 10.6019/CHEMBL4513141
Candida albicans Candida albicans MIC 250.0 nM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MIC 376.0 nM 10.1016/j.bmc.2018.08.004
Candida albicans Candida albicans MIC 500.0 nM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MIC 500.0 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida albicans Candida albicans MIC 7300.0 nM 10.1016/j.bmcl.2020.127234
Candida albicans Candida albicans MIC 7600.0 nM 10.1039/C8MD00481A
Candida albicans Candida albicans MIC 15200.0 nM 10.1039/C8MD00481A
Candida albicans Candida albicans MIC 25000.0 nM 10.1016/j.bmcl.2016.07.036
Candida albicans Candida albicans MIC50 0.5 ug.mL-1 10.1021/acs.jmedchem.2c00878
Candida albicans Candida albicans MIC50 1.0 ug.mL-1 10.1021/acs.jmedchem.2c01451
Candida albicans Candida albicans MIC50 4.0 ug.mL-1 10.1021/acs.jmedchem.2c00878
Candida albicans Candida albicans MIC50 4.0 ug.mL-1 10.1021/acs.jmedchem.2c01451
Candida albicans Candida albicans MIC50 8.0 ug.mL-1 10.1021/acs.jmedchem.2c00878
Candida albicans Candida albicans MIC50 8.0 ug.mL-1 10.1021/acs.jmedchem.2c01451
Candida albicans Candida albicans MIC90 0.25 ug.mL-1 10.1016/j.bmcl.2019.06.040
Candida albicans Candida albicans MIC90 62.5 ug.mL-1 10.1016/j.ejmech.2017.12.020
Candida albicans Candida albicans MIC95 0.25 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MIC95 0.5 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MIC95 1.0 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MIC95 32.0 uM 10.1021/acs.jmedchem.7b01729
Candida albicans Candida albicans MIC95 64.0 uM 10.1021/acs.jmedchem.7b01729
Candida parapsilosis Candida parapsilosis Activity 0.5 % 10.1016/j.ejmech.2017.12.020
Candida parapsilosis Candida parapsilosis Activity 15.2 % 10.1016/j.ejmech.2017.12.020
Candida parapsilosis Candida parapsilosis Activity 27.0 % 10.1016/j.ejmech.2017.12.020
Candida parapsilosis Candida parapsilosis Activity 57.3 % 10.1016/j.ejmech.2017.12.020
Candida parapsilosis Candida parapsilosis MFC99.9 1.0 uM 10.1021/acs.jmedchem.7b01729
Candida parapsilosis Candida parapsilosis MIC 2.0 ug.mL-1 10.1016/j.ejmech.2017.09.026
Candida parapsilosis Candida parapsilosis MIC90 1.565 ug.mL-1 10.1016/j.ejmech.2017.12.020
Candida parapsilosis Candida parapsilosis MIC95 0.25 uM 10.1021/acs.jmedchem.7b01729
[Candida] sake [Candida] sake MIC 4.0 ug.mL-1 10.1016/j.ejmech.2017.09.026
Candida tropicalis Candida tropicalis MFC99.9 1.0 uM 10.1021/acs.jmedchem.7b01729
Candida tropicalis Candida tropicalis MFC99.9 62.5 ug ml-1 10.1016/j.ejmech.2020.113048
Candida tropicalis Candida tropicalis MIC 2.0 ug.mL-1 10.1016/j.ejmech.2017.09.026
Candida tropicalis Candida tropicalis MIC 25.0 ug.mL-1 10.1016/j.ejmech.2019.03.023
Candida tropicalis Candida tropicalis MIC 31.25 ug.mL-1 10.1016/j.ejmech.2020.113048
Candida tropicalis Candida tropicalis MIC50 0.5 ug.mL-1 10.1021/acs.jmedchem.2c00878
Candida tropicalis Candida tropicalis MIC50 0.5 ug.mL-1 10.1021/acs.jmedchem.2c01451
Candida tropicalis Candida tropicalis MIC50 15.9 ug.mL-1 10.1016/j.bmcl.2020.127220
Candida tropicalis Candida tropicalis MIC95 0.25 uM 10.1021/acs.jmedchem.7b01729
Colletotrichum gloeosporioides Colletotrichum gloeosporioides MIC 12.5 ug.mL-1 10.1016/j.ejmech.2021.114057
Colletotrichum truncatum Colletotrichum truncatum MIC 0.19 ug.mL-1 10.1021/acs.jnatprod.0c00144
Corynespora cassiicola Corynespora cassiicola MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
Cryptococcus neoformans Cryptococcus neoformans MIC 2500.0 nM 10.6019/CHEMBL4513141
Cryptococcus neoformans Cryptococcus neoformans MIC50 1.0 ug.mL-1 10.1021/acs.jmedchem.2c00878
Cryptococcus neoformans Cryptococcus neoformans MIC50 1.0 ug.mL-1 10.1021/acs.jmedchem.2c01451
Curvularia lunata Curvularia lunata Activity 36.0 mm 10.1016/j.ejmech.2022.114255
Escherichia coli Escherichia coli IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Escherichia coli Escherichia coli MIC 10000.0 nM 10.6019/CHEMBL4513141
Fusarium oxysporum Fusarium oxysporum IZ 20.0 mm 10.1016/j.bmcl.2017.08.017
Fusarium oxysporum Fusarium oxysporum MIC 6.3 ug.mL-1 10.1021/acs.jnatprod.8b01030
Fusarium oxysporum Fusarium oxysporum MIC 12.5 ug.mL-1 10.1016/j.bmcl.2017.08.017
Fusarium solani Fusarium solani Activity 36.0 mm 10.1016/j.ejmech.2022.114255
Geotrichum candidum Geotrichum candidum MIC50 1.5 ug.mL-1 10.1016/j.bmcl.2020.127220
Homo sapiens 7-alpha-hydroxycholest-4-en-3-one 12-alpha-hydroxylase IC50 2200.0 nM None
Homo sapiens ASPC1 Activity nan None 10.1021/acs.jmedchem.9b02067
Homo sapiens ATP-binding cassette sub-family G member 2 IC50 15300.0 nM 10.1016/j.ejmech.2022.114346
Homo sapiens Bile salt export pump IC50 3400.0 nM 10.1021/acs.jmedchem.0c00524
Homo sapiens Cytochrome P450 17A1 IC50 48.0 nM 10.1016/j.bmcl.2018.05.040
Homo sapiens Cytochrome P450 17A1 IC50 1800.0 nM 10.1016/j.bmcl.2016.10.016
Homo sapiens Cytochrome P450 19A1 IC50 951.48 nM 10.1016/j.bmc.2018.02.048
Homo sapiens Cytochrome P450 19A1 IC50 1600.0 nM 10.1016/j.bmcl.2018.05.040
Homo sapiens Cytochrome P450 19A1 IC50 2400.0 nM 10.1021/acs.jnatprod.0c01292
Homo sapiens Cytochrome P450 19A1 IC50 2600.0 nM 10.1016/j.ejmech.2017.10.057
Homo sapiens Cytochrome P450 1A2 Activity 92.5 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 1A2 Activity 100.0 % 10.1016/j.ejmech.2021.113405
Homo sapiens Cytochrome P450 1A2 Activity 100.0 % 10.1021/acs.jmedchem.1c01093
Homo sapiens Cytochrome P450 24A1 IC50 300.0 nM 10.1021/acs.jmedchem.0c00960
Homo sapiens Cytochrome P450 2A6 Activity 91.8 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 2B6 Activity 84.1 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 2C19 Activity 85.8 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 2C19 Activity 100.0 % 10.1016/j.ejmech.2021.113405
Homo sapiens Cytochrome P450 2C19 Activity 100.0 % 10.1021/acs.jmedchem.1c01093
Homo sapiens Cytochrome P450 2C8 Activity 95.6 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 2C9 Activity 85.0 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 2C9 Activity 100.0 % 10.1016/j.ejmech.2021.113405
Homo sapiens Cytochrome P450 2C9 Activity 100.0 % 10.1021/acs.jmedchem.1c01093
Homo sapiens Cytochrome P450 2C9 FC 1.4 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 Activity 100.0 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 2D6 Activity 100.0 % 10.1016/j.ejmech.2021.113405
Homo sapiens Cytochrome P450 2D6 Activity 100.0 % 10.1021/acs.jmedchem.1c01093
Homo sapiens Cytochrome P450 2D6 FC 0.5 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 2D6 IC50 1.86 nM 10.1016/j.bmc.2022.116894
Homo sapiens Cytochrome P450 2D6 IC50 10.0 nM 10.1016/j.ejmech.2017.12.053
Homo sapiens Cytochrome P450 2D6 IC50 8310.0 nM 10.1016/j.ejmech.2021.113674
Homo sapiens Cytochrome P450 2E1 Activity 98.1 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 3A4 Activity 30.5 % 10.1021/acs.jmedchem.1c01093
Homo sapiens Cytochrome P450 3A4 Activity 31.1 % 10.1021/acs.jmedchem.1c00271
Homo sapiens Cytochrome P450 3A4 Activity 31.8 % 10.1016/j.ejmech.2021.113405
Homo sapiens Cytochrome P450 3A4 Activity 35.7 % 10.1016/j.bmcl.2018.12.020
Homo sapiens Cytochrome P450 3A4 Activity 80.1 % 10.1021/acs.jmedchem.1c00271
Homo sapiens Cytochrome P450 3A4 Activity nan None 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A4 FC 1.1 None 10.1016/j.bmcl.2016.06.088
Homo sapiens Cytochrome P450 3A4 IC50 2.38 nM 10.1016/j.ejmech.2021.113674
Homo sapiens Cytochrome P450 3A4 IC50 7.0 nM 10.1021/acs.jmedchem.1c01559
Homo sapiens Cytochrome P450 3A4 IC50 10.0 nM 10.1021/acs.jmedchem.1c02071
Homo sapiens Cytochrome P450 3A4 IC50 11.0 nM 10.1021/acs.jmedchem.0c01741
Homo sapiens Cytochrome P450 3A4 IC50 11.7 nM 10.1016/j.ejmech.2021.113715
Homo sapiens Cytochrome P450 3A4 IC50 12.5 nM 10.1016/j.ejmech.2022.114161
Homo sapiens Cytochrome P450 3A4 IC50 17.0 nM 10.1021/acs.jmedchem.9b01562
Homo sapiens Cytochrome P450 3A4 IC50 18.3 nM 10.1021/acs.jmedchem.8b01729
Homo sapiens Cytochrome P450 3A4 IC50 21.7 nM 10.1016/j.ejmech.2020.112465
Homo sapiens Cytochrome P450 3A4 IC50 22.0 nM 10.1021/acs.jmedchem.1c01559
Homo sapiens Cytochrome P450 3A4 IC50 25.0 nM 10.1021/acs.jmedchem.1c01784
Homo sapiens Cytochrome P450 3A4 IC50 27.0 nM 10.1021/acs.jmedchem.0c00564
Homo sapiens Cytochrome P450 3A4 IC50 29.6 nM 10.1021/acsmedchemlett.7b00230
Homo sapiens Cytochrome P450 3A4 IC50 33.6 nM 10.1021/acs.jmedchem.1c01970
Homo sapiens Cytochrome P450 3A4 IC50 33.8 nM 10.1021/acs.jmedchem.2c01497
Homo sapiens Cytochrome P450 3A4 IC50 34.5 nM 10.1016/j.bmc.2018.04.054
Homo sapiens Cytochrome P450 3A4 IC50 35.5 nM 10.1021/acs.jmedchem.1c02057
Homo sapiens Cytochrome P450 3A4 IC50 36.6 nM 10.1021/acs.jmedchem.0c00117
Homo sapiens Cytochrome P450 3A4 IC50 36.6 nM 10.1021/acs.jmedchem.8b01656
Homo sapiens Cytochrome P450 3A4 IC50 37.5 nM 10.1021/acs.jmedchem.0c00223
Homo sapiens Cytochrome P450 3A4 IC50 37.5 nM 10.1021/acs.jmedchem.9b01769
Homo sapiens Cytochrome P450 3A4 IC50 39.0 nM 10.1021/acs.jmedchem.1c01366
Homo sapiens Cytochrome P450 3A4 IC50 40.0 nM 10.1021/acs.jmedchem.9b00952
Homo sapiens Cytochrome P450 3A4 IC50 42.3 nM 10.1021/acs.jmedchem.2c01497
Homo sapiens Cytochrome P450 3A4 IC50 46.0 nM 10.1021/acs.jmedchem.1c00633
Homo sapiens Cytochrome P450 3A4 IC50 55.1 nM 10.1016/j.bmc.2022.116894
Homo sapiens Cytochrome P450 3A4 IC50 56.3 nM 10.1021/acs.jmedchem.8b01729
Homo sapiens Cytochrome P450 3A4 IC50 60.0 nM 10.1016/j.ejmech.2019.02.073
Homo sapiens Cytochrome P450 3A4 IC50 60.0 nM 10.1016/j.ejmech.2019.03.037
Homo sapiens Cytochrome P450 3A4 IC50 65.0 nM 10.1021/acs.jmedchem.8b00335
Homo sapiens Cytochrome P450 3A4 IC50 69.0 nM 10.1021/acs.jmedchem.0c00500
Homo sapiens Cytochrome P450 3A4 IC50 76.0 nM 10.1016/j.ejmech.2022.114569
Homo sapiens Cytochrome P450 3A4 IC50 76.0 nM 10.1039/d2md00352j
Homo sapiens Cytochrome P450 3A4 IC50 77.0 nM 10.1021/acs.jmedchem.1c01272
Homo sapiens Cytochrome P450 3A4 IC50 80.0 nM 10.1021/acs.jmedchem.1c01452
Homo sapiens Cytochrome P450 3A4 IC50 90.0 nM 10.1021/acs.jmedchem.1c01157
Homo sapiens Cytochrome P450 3A4 IC50 100.0 nM 10.1016/j.ejmech.2017.12.053
Homo sapiens Cytochrome P450 3A4 IC50 100.0 nM 10.1016/j.ejmech.2019.111857
Homo sapiens Cytochrome P450 3A4 IC50 117.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A4 IC50 122.2 nM 10.1021/acs.jmedchem.2c00468
Homo sapiens Cytochrome P450 3A4 IC50 136.0 nM 10.1016/j.bmcl.2016.10.016
Homo sapiens Cytochrome P450 3A4 IC50 140.0 nM 10.1016/j.bmc.2017.03.031
Homo sapiens Cytochrome P450 3A4 IC50 140.0 nM 10.1016/j.ejmech.2019.03.017
Homo sapiens Cytochrome P450 3A4 IC50 140.0 nM 10.1039/C8MD00070K
Homo sapiens Cytochrome P450 3A4 IC50 140.0 nM 10.1039/C8MD00313K
Homo sapiens Cytochrome P450 3A4 IC50 146.0 nM 10.1016/j.bmcl.2018.05.040
Homo sapiens Cytochrome P450 3A4 IC50 184.0 nM 10.1021/acs.jmedchem.1c01157
Homo sapiens Cytochrome P450 3A4 IC50 200.0 nM 10.1016/j.bmcl.2019.06.040
Homo sapiens Cytochrome P450 3A4 IC50 240.0 nM 10.1021/acs.jmedchem.9b00062
Homo sapiens Cytochrome P450 3A4 IC50 400.0 nM 10.1021/acs.jmedchem.8b01464
Homo sapiens Cytochrome P450 3A4 IC50 2000.0 nM 10.1021/acs.jmedchem.1c00708
Homo sapiens Cytochrome P450 3A4 IC50 20000.0 nM 10.1021/acs.jmedchem.8b01226
Homo sapiens Cytochrome P450 3A4 IC50 21330.0 nM 10.1021/acs.jmedchem.1c01498
Homo sapiens Cytochrome P450 3A4 Inhibition 65.9 % 10.1016/j.ejmech.2021.113453
Homo sapiens Cytochrome P450 3A4 Inhibition 72.0 % 10.1021/acs.jmedchem.6b00912
Homo sapiens Cytochrome P450 3A4 Inhibition 96.0 % 10.1016/j.ejmech.2018.07.053
Homo sapiens Cytochrome P450 3A4 Inhibition 97.7 % 10.1016/j.bmc.2022.116862
Homo sapiens Cytochrome P450 3A4 Inhibition 98.4 % 10.1021/acs.jmedchem.8b01090
Homo sapiens Cytochrome P450 3A4 Inhibition 98.5 % 10.1016/j.bmcl.2022.128673
Homo sapiens Cytochrome P450 3A4 Inhibition 98.8 % 10.1016/j.ejmech.2021.113740
Homo sapiens Cytochrome P450 3A4 Inhibition 98.9 % 10.1016/j.ejmech.2022.114424
Homo sapiens Cytochrome P450 3A4 Inhibition 99.32 % 10.1016/j.bmcl.2018.07.048
Homo sapiens Cytochrome P450 3A4 Inhibition 100.0 % 10.1016/j.bmcl.2015.12.010
Homo sapiens Cytochrome P450 3A4 Inhibition 100.0 % 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1016/j.bmc.2017.03.031
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/acs.jmedchem.0c01741
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/acs.jmedchem.1c01498
Homo sapiens Cytochrome P450 3A4 Inhibition nan % 10.1021/acs.jmedchem.8b00335
Homo sapiens Cytochrome P450 3A4 Kd 900.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A4/3A5 IC50 12.5 nM 10.1016/j.ejmech.2021.113174
Homo sapiens Cytochrome P450 3A5 Activity nan None 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A5 IC50 141.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A5 IC50 162.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A5 IC50 439.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A5 IC50 513.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A5 Inhibition 100.0 % 10.1021/acs.jmedchem.9b02067
Homo sapiens Cytochrome P450 3A5 Kd 3100.0 nM 10.1021/acs.jmedchem.9b02067
Homo sapiens Fibroblast Growth Rate -1.0 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate -0.79 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.47 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.89 None 10.6019/CHEMBL5303304
Homo sapiens Fibroblast Growth Rate 0.96 None 10.6019/CHEMBL5303304
Homo sapiens HEK293 CC50 10000.0 nM 10.6019/CHEMBL4513141
Homo sapiens HEK-293T Growth Rate -0.34 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate -0.16 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.03 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.05 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.32 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.34 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.38 None 10.6019/CHEMBL5303304
Homo sapiens HEK-293T Growth Rate 0.6 None 10.6019/CHEMBL5303304
Homo sapiens HepG2 Activity nan None 10.1016/j.bmc.2018.11.010
Homo sapiens HMG-CoA reductase Activity nan None 10.1016/j.bmc.2019.115298
Homo sapiens Keap1/Nrf2 IC50 1670.0 nM 10.1016/j.ejmech.2020.112532
Homo sapiens LNCaP GI50 25000.0 nM 10.1016/j.ejmech.2016.05.059
Homo sapiens LNCaP Inhibition 68.2 % 10.1016/j.ejmech.2016.05.059
Homo sapiens LNCaP Inhibition 76.0 % 10.1016/j.ejmech.2016.05.059
Homo sapiens LNCaP Inhibition 82.7 % 10.1016/j.ejmech.2016.05.059
Homo sapiens MES-SA/Dx5 Activity 39.0 % 10.1021/acs.jmedchem.1c01272
Homo sapiens PC-3 GI50 11700.0 nM 10.1016/j.ejmech.2016.05.059
Homo sapiens P-glycoprotein 1 IC50 1058.0 nM 10.1021/acs.jmedchem.1c01272
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 16788.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 33498.3 nM None
Homo sapiens U2OS Growth Rate -0.98 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.63 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.7 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.94 None 10.6019/CHEMBL5303304
Homo sapiens U2OS Growth Rate 0.99 None 10.6019/CHEMBL5303304
Klebsiella pneumoniae Klebsiella pneumoniae MIC 10000.0 nM 10.6019/CHEMBL4513141
Kluyveromyces marxianus Kluyveromyces marxianus MIC50 9.6 ug.mL-1 10.1016/j.bmcl.2020.127220
Leishmania amazonensis Leishmania amazonensis IC50 550.0 nM 10.1016/j.ejmech.2017.04.044
Leishmania amazonensis Leishmania amazonensis IC50 2700.0 nM 10.1016/j.ejmech.2019.111660
Leishmania amazonensis Leishmania amazonensis IC50 3140.0 nM 10.1016/j.ejmech.2017.04.044
Leishmania amazonensis Leishmania amazonensis IC50 6800.0 nM 10.1016/j.ejmech.2019.111660
Leishmania amazonensis Leishmania amazonensis IC50 12500.0 nM 10.1016/j.bmc.2017.09.035
Leishmania amazonensis Leishmania amazonensis IC50 29800.0 nM 10.1016/j.bmc.2017.09.035
Leishmania amazonensis Leishmania amazonensis IC50 164100.0 nM 10.1016/j.bmc.2017.09.035
Leishmania braziliensis Leishmania braziliensis MIC 30.0 nM 10.1016/j.ejmech.2017.04.044
Leishmania donovani Leishmania donovani IC50 550.0 nM 10.1016/j.ejmech.2017.04.044
Leishmania major Leishmania major IC50 12.8 ug.mL-1 10.1016/j.ejmech.2017.04.044
Leishmania major Leishmania major IC50 550.0 nM 10.1016/j.ejmech.2017.04.044
Leishmania mexicana Leishmania mexicana Activity 50.0 % 10.1016/j.ejmech.2017.04.044
Leishmania tropica Leishmania tropica Activity 85.0 % 10.1016/j.ejmech.2017.04.044
Lichtheimia corymbifera Lichtheimia corymbifera MIC 16.6 ug.mL-1 10.1016/j.ejmech.2019.03.021
Malassezia pachydermatis Malassezia pachydermatis IZ 26.0 mm 10.1016/j.bmcl.2016.07.036
Mus musculus NIH3T3 IC50 396.0 ug.mL-1 10.1016/j.ejmech.2017.12.020
Nakaseomyces glabratus Nakaseomyces glabratus Activity 0.1 % 10.1016/j.ejmech.2017.12.020
Nakaseomyces glabratus Nakaseomyces glabratus Activity 4.1 % 10.1016/j.ejmech.2017.12.020
Nakaseomyces glabratus Nakaseomyces glabratus Activity 23.7 % 10.1016/j.ejmech.2017.12.020
Nakaseomyces glabratus Nakaseomyces glabratus Activity 72.0 % 10.1016/j.ejmech.2017.12.020
Nakaseomyces glabratus Nakaseomyces glabratus MFC99.9 500.0 ug ml-1 10.1016/j.ejmech.2020.113048
Nakaseomyces glabratus Nakaseomyces glabratus MIC 2.0 ug.mL-1 10.1016/j.ejmech.2017.09.026
Nakaseomyces glabratus Nakaseomyces glabratus MIC 25.0 ug.mL-1 10.1016/j.ejmech.2019.03.023
Nakaseomyces glabratus Nakaseomyces glabratus MIC 125.0 ug.mL-1 10.1016/j.ejmech.2020.113048
Nakaseomyces glabratus Nakaseomyces glabratus MIC 15060.0 nM 10.1016/j.bmcl.2019.126869
Nakaseomyces glabratus Nakaseomyces glabratus MIC90 62.5 ug.mL-1 10.1016/j.ejmech.2017.12.020
Penicillium chrysogenum Penicillium chrysogenum IZ 34.0 mm 10.1016/j.ejmech.2017.12.067
Penicillium chrysogenum Penicillium chrysogenum IZ 35.0 mm 10.1016/j.ejmech.2017.11.093
Penicillium chrysogenum Penicillium chrysogenum IZ 36.0 mm 10.1016/j.ejmech.2017.11.093
Penicillium chrysogenum Penicillium chrysogenum IZ 36.0 mm 10.1016/j.ejmech.2017.12.067
Penicillium chrysogenum Penicillium chrysogenum IZ 37.0 mm 10.1016/j.ejmech.2017.12.067
Penicillium chrysogenum Penicillium chrysogenum IZ 38.0 mm 10.1016/j.ejmech.2017.11.093
Penicillium chrysogenum Penicillium chrysogenum IZ 39.0 mm 10.1016/j.ejmech.2017.12.067
Penicillium chrysogenum Penicillium chrysogenum MIC 12.5 ug 10.1016/j.ejmech.2017.12.067
Penicillium chrysogenum Penicillium chrysogenum MIC 12.5 ug.mL-1 10.1016/j.ejmech.2017.11.093
Penicillium cyclopium Penicillium cyclopium MFC 0.57 mM 10.1016/j.bmcl.2020.127368
Penicillium cyclopium Penicillium cyclopium MFC 57.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Penicillium cyclopium Penicillium cyclopium MFC 94.0 10'-2mmol/ml 10.1039/C8MD00076J
Penicillium cyclopium Penicillium cyclopium MIC 38.0 10'-2mmol/ml 10.1039/C8MD00076J
Penicillium cyclopium Penicillium cyclopium MIC 380.0 nM 10.1016/j.ejmech.2019.04.046
Penicillium cyclopium Penicillium cyclopium MIC 380000.0 nM 10.1016/j.bmcl.2020.127368
Penicillium ochrochloron Penicillium ochrochloron MFC 2.82 mM 10.1016/j.bmcl.2020.127368
Penicillium ochrochloron Penicillium ochrochloron MFC 95.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Penicillium ochrochloron Penicillium ochrochloron MFC 380.0 10'-2mmol/ml 10.1039/C8MD00076J
Penicillium ochrochloron Penicillium ochrochloron MFC99.5 285.0 10'-2 umol/ml 10.1039/C7MD00334J
Penicillium ochrochloron Penicillium ochrochloron MFC99.5 380.0 10'-2microM 10.1016/j.bmc.2018.08.004
Penicillium ochrochloron Penicillium ochrochloron MIC 190.0 10'-2 umol/ml 10.1039/C7MD00334J
Penicillium ochrochloron Penicillium ochrochloron MIC 380.0 10'-2mmol/ml 10.1039/C8MD00076J
Penicillium ochrochloron Penicillium ochrochloron MIC 380.0 nM 10.1016/j.ejmech.2019.04.046
Penicillium ochrochloron Penicillium ochrochloron MIC 3800.0 nM 10.1016/j.bmc.2018.08.004
Penicillium ochrochloron Penicillium ochrochloron MIC 1880000.0 nM 10.1016/j.bmcl.2020.127368
Penicillium verrucosum Penicillium verrucosum MFC99.5 94.0 10'-2microM 10.1016/j.bmc.2018.08.004
Penicillium verrucosum Penicillium verrucosum MIC 376.0 nM 10.1016/j.bmc.2018.08.004
Pestalotiopsis calabae Pestalotiopsis calabae MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.0c00144
Pichia kudriavzevii Pichia kudriavzevii Activity 0.3 % 10.1016/j.ejmech.2017.12.020
Pichia kudriavzevii Pichia kudriavzevii Activity 8.3 % 10.1016/j.ejmech.2017.12.020
Pichia kudriavzevii Pichia kudriavzevii Activity 23.8 % 10.1016/j.ejmech.2017.12.020
Pichia kudriavzevii Pichia kudriavzevii Activity 67.7 % 10.1016/j.ejmech.2017.12.020
Pichia kudriavzevii Pichia kudriavzevii MFC99.9 1.0 uM 10.1021/acs.jmedchem.7b01729
Pichia kudriavzevii Pichia kudriavzevii MFC99.9 7.8 ug ml-1 10.1016/j.ejmech.2020.113048
Pichia kudriavzevii Pichia kudriavzevii MIC 4.0 ug.mL-1 10.1016/j.ejmech.2017.09.026
Pichia kudriavzevii Pichia kudriavzevii MIC 7.8 ug.mL-1 10.1016/j.ejmech.2020.113048
Pichia kudriavzevii Pichia kudriavzevii MIC50 0.5 ug.mL-1 10.1021/acs.jmedchem.2c00878
Pichia kudriavzevii Pichia kudriavzevii MIC50 0.5 ug.mL-1 10.1021/acs.jmedchem.2c01451
Pichia kudriavzevii Pichia kudriavzevii MIC90 1.565 ug.mL-1 10.1016/j.ejmech.2017.12.020
Pichia kudriavzevii Pichia kudriavzevii MIC95 1.0 uM 10.1021/acs.jmedchem.7b01729
Plasmodium falciparum Plasmodium falciparum IC50 200.0 nM 10.1039/c9md00479c
Pseudomonas aeruginosa Pseudomonas aeruginosa IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 10000.0 nM 10.6019/CHEMBL4513141
Rattus norvegicus Cytochrome P450 3A2 Inhibition nan % 10.1016/j.bmcl.2022.128881
Rattus norvegicus Heme oxygenase 1 IC50 300.0 nM 10.1016/j.ejmech.2019.111703
Rattus norvegicus Heme oxygenase 2 IC50 7000.0 nM 10.1016/j.ejmech.2019.111703
Saccharomyces cerevisiae Saccharomyces cerevisiae MIC 2.5 ug.mL-1 10.1016/j.ejmech.2021.114057
Sclerotinia sclerotiorum Sclerotinia sclerotiorum MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition index -0.08118 None 10.1101/2020.04.03.023846
Staphylococcus aureus Staphylococcus aureus IZ 23.0 mm 10.1016/j.ejmech.2019.111744
Staphylococcus aureus Staphylococcus aureus MIC 10000.0 nM 10.6019/CHEMBL4513141
Talaromyces funiculosus Talaromyces funiculosus IZ 22.0 mm 10.1016/j.bmcl.2017.08.017
Talaromyces funiculosus Talaromyces funiculosus MFC 0.94 mM 10.1016/j.bmcl.2020.127368
Talaromyces funiculosus Talaromyces funiculosus MFC 95.0 10'-2mmol/ml 10.1039/C8MD00076J
Talaromyces funiculosus Talaromyces funiculosus MFC99.5 95.0 10'-2microM 10.1016/j.bmc.2018.08.004
Talaromyces funiculosus Talaromyces funiculosus MFC99.5 95.0 10'-2 umol/ml 10.1039/C7MD00334J
Talaromyces funiculosus Talaromyces funiculosus MIC 25.0 ug.mL-1 10.1016/j.bmcl.2017.08.017
Talaromyces funiculosus Talaromyces funiculosus MIC 38.0 10'-2mmol/ml 10.1039/C8MD00076J
Talaromyces funiculosus Talaromyces funiculosus MIC 38.0 10'-2 umol/ml 10.1039/C7MD00334J
Talaromyces funiculosus Talaromyces funiculosus MIC 380.0 nM 10.1016/j.bmc.2018.08.004
Talaromyces funiculosus Talaromyces funiculosus MIC 380000.0 nM 10.1016/j.bmcl.2020.127368
Trichoderma reesei Trichoderma reesei IZ 24.0 mm 10.1016/j.bmcl.2017.08.017
Trichoderma reesei Trichoderma reesei MIC 25.0 ug.mL-1 10.1016/j.bmcl.2017.08.017
Trichoderma viride Trichoderma viride MFC 2.82 mM 10.1016/j.bmcl.2020.127368
Trichoderma viride Trichoderma viride MFC 570.0 10'-2microM 10.1016/j.ejmech.2019.04.046
Trichoderma viride Trichoderma viride MFC 570.0 10'-2mmol/ml 10.1039/C8MD00076J
Trichoderma viride Trichoderma viride MFC99.5 285.0 10'-2 umol/ml 10.1039/C7MD00334J
Trichoderma viride Trichoderma viride MFC99.5 570.0 10'-2microM 10.1016/j.bmc.2018.08.004
Trichoderma viride Trichoderma viride MIC 190.0 10'-2 umol/ml 10.1039/C7MD00334J
Trichoderma viride Trichoderma viride MIC 475.0 10'-2mmol/ml 10.1039/C8MD00076J
Trichoderma viride Trichoderma viride MIC 4750.0 nM 10.1016/j.bmc.2018.08.004
Trichoderma viride Trichoderma viride MIC 4750.0 nM 10.1016/j.ejmech.2019.04.046
Trichoderma viride Trichoderma viride MIC 1880000.0 nM 10.1016/j.bmcl.2020.127368
Trichophyton mentagrophytes Trichophyton mentagrophytes MFC 16.6 uM 10.1016/j.bmcl.2020.127234
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 7300.0 nM 10.1016/j.bmcl.2020.127234
Trichophyton mentagrophytes Trichophyton mentagrophytes MIC 7600.0 nM 10.1039/C8MD00481A
Trypanosoma cruzi (strain CL Brener) Sterol 14-alpha demethylase IC50 14.0 nM 10.1016/j.bmc.2021.116577
Valsa mali Valsa mali MIC 12.5 ug.mL-1 10.1016/j.ejmech.2021.114057
Verticillium dahliae Verticillium dahliae MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
None ADMET Activity 400.0 mg 10.1021/acs.jmedchem.0c00524
None ADMET Cp 180.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 13.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 19.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 34.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 150.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Ct 1600.0 ng/ml 10.1016/j.ejmech.2019.111813
None ADMET Drugabsorption 84.68 % 10.1016/j.ejmech.2020.112492
None ADMET Fu 0.002 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.00345 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.0068 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.0091 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.00933 None 10.1016/j.ejmech.2019.111813
None ADMET Fu 0.0374 None 10.1016/j.ejmech.2019.111813
None ADMET K(p,uu,brain) 0.16 None 10.1016/j.ejmech.2019.111813
None ADMET Papp 4.2 10'-6 cm/s 10.1016/j.ejmech.2019.111813
None ADMET Papp nan None 10.1021/acs.jmedchem.8b00613
None ADMET permeability 3.3 10^-6 cm/s 10.1016/j.ejmech.2020.112492
None ADMET permeability 4.93 10^-6 cm/s 10.1016/j.ejmech.2020.112492
None ADMET PPB 98.35 % 10.1021/acs.jmedchem.0c00456
None ADMET PPB 98.72 % 10.1016/j.ejmech.2022.114315
None ADMET PPB 99.68 % 10.1016/j.ejmech.2022.114315
None ADMET Ratio 0.27 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 2.3 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 2.4 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio 5.5 None 10.1016/j.ejmech.2019.111813
None ADMET Ratio IC50 0.076 None 10.1016/j.bmcl.2016.10.016
None ADMET Stability nan % 10.1021/acs.jmedchem.1c01093
None ADMET T1/2 0.6667 hr 10.1016/j.bmcl.2018.05.040
None B-cell Inhibition nan % None
None No relevant target Activity nan None 10.1021/acs.jmedchem.0c00841
None No relevant target LogD 3.54 None 10.1021/acs.jmedchem.2c00386
None No relevant target LogD 4.33 None 10.1016/j.bmcl.2019.06.040
None No relevant target LogP 4.34 None 10.1016/j.bmcl.2019.06.040
None No relevant target pKa 6.51 None 10.1021/acs.jmedchem.1c00790
None No relevant target solubility nan None 10.1016/j.bmc.2017.09.037
None No relevant target Solubility 31100.0 nM 10.1016/j.ejmech.2019.111589
None No relevant target Solubility 32000.0 nM 10.1021/acs.jmedchem.8b00613
None Unchecked Ac50 3.548 uM None
None Unchecked Ac50 28.18 uM None
None Unchecked Ac50 35.48 uM None
None Unchecked AC50 3548.1 nM None
None Unchecked AC50 28190.0 nM None
None Unchecked AC50 35481.3 nM None
None Unchecked Activity 85.0 % None
None Unchecked IC20 5.52 10'-8M None
None Unchecked IC50 185.0 nM None
None Unchecked IC50 340.0 nM 10.1021/acs.jmedchem.1c00864
None Unchecked IC50 440.0 nM 10.1021/acs.jmedchem.1c00864
None Unchecked IC50 1300.0 nM 10.1021/acs.jmedchem.1c01710
None Unchecked IC50 1400.0 nM 10.1021/acs.jmedchem.1c00864
None Unchecked IC50 2000.0 nM 10.1021/acs.jmedchem.1c01676
None Unchecked IC50 2500.0 nM 10.1021/acs.jmedchem.1c00864
None Unchecked IC50 6400.0 nM 10.1021/acs.jmedchem.9b01809
None Unchecked Inhibition 84.0 % None
None Unchecked Inhibition 94.4 % 10.1016/j.bmcl.2022.128868
None Unchecked Inhibition nan % 10.1016/j.ejmech.2016.05.059
None Unchecked Kd 5.0 nM 10.1021/acs.jmedchem.1c01710
None Unchecked MFC 380.0 10'-2microM 10.1016/j.ejmech.2019.04.046
None Unchecked MIC 0.39 ug.mL-1 10.1021/acs.jnatprod.0c00144
None Unchecked MIC 0.78 ug.mL-1 10.1021/acs.jnatprod.8b00589
None Unchecked MIC 3800.0 nM 10.1016/j.ejmech.2019.04.046
None Unchecked MIC 15200.0 nM 10.1039/C8MD00481A
None Unchecked Ratio IC50 3.0 None 10.1016/j.bmcl.2018.05.040
None Unchecked Ratio IC50 33.0 None 10.1016/j.bmcl.2018.05.040

Metabolism Information