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name Structure Reference Source Properties Activities Metabolism

[2,8-bis(trifluoromethyl)quinolin-4-yl](piperidin-2-yl)methanol

AlkaPlorer ID: AK073061

Synonym: None

IUPAC Name: (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol

Structure

SMILES: O[C@@H](C1=CC(C(F)(F)F)=NC2=C1C=CC=C2C(F)(F)F)[C@H]1CCCCN1

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InChI: InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15+/m1/s1

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InChIKey: XEEQGYMUWCZPDN-DOMZBBRYSA-N

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Reference

PubChem CID: 40692

CAS: 51742-86-0

NPASS: NPC487178

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 378.31600000000014

TPSA？: 45.150000000000006

MolLogP？: 4.447900000000002

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bos taurus Calf thymus DNA Activity nan None 10.1021/jm00219a002
Bos taurus Calf thymus DNA Tm 63.0 degrees C 10.1021/jm00219a002
Canis lupus familiaris MDCK Papp 0.6 ucm/s 10.1016/j.bmc.2013.09.065
Canis lupus familiaris MDCK Papp 3.7 ucm/s 10.1016/j.bmc.2013.09.065
Canis lupus familiaris MDCK Ratio 6.17 None 10.1016/j.bmc.2013.09.065
Chlorocebus sabaeus Vero CC50 21000.0 nM 10.1016/j.bmcl.2021.127884
Chlorocebus sabaeus Vero CC50 212000.0 nM 10.1016/j.ejmech.2016.12.058
Chlorocebus sabaeus Vero IC50 nan None 10.1016/j.ejmech.2015.09.001
dengue virus type 2 dengue virus type 2 EC50 3220.0 nM 10.1016/j.ejmech.2019.05.010
Enterococcus faecalis Enterococcus faecalis MIC 16.0 ug.mL-1 10.1021/acs.jmedchem.8b01353
Homo sapiens A549 IC50 nan None 10.1016/j.ejmech.2015.09.001
Homo sapiens Adenosine A1 receptor Ki 14044.0 nM 10.1016/j.bmcl.2008.03.075
Homo sapiens Adenosine A2a receptor Ki 6553.0 nM 10.1016/j.bmcl.2008.03.075
Homo sapiens ATP-binding cassette sub-family G member 2 IC50 18000.0 nM 10.1016/j.ejmech.2022.114346
Homo sapiens Blood Stability 95.0 % 10.1021/acsmedchemlett.5b00296
Homo sapiens Cytochrome P450 1A2 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C19 IC50 14900.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C8 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2C9 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2D6 IC50 30000.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 Activity 22.4 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 2J2 Activity 44.6 % 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 3A4 IC50 667.0 nM 10.1124/dmd.111.043505
Homo sapiens Cytochrome P450 3A4 IC50 18000.0 nM 10.1016/j.ejmech.2021.113981
Homo sapiens Cytochrome P450 3A4 IC50 19000.0 nM 10.1016/j.ejmech.2021.113981
Homo sapiens Cytochrome P450 3A4 IC50 30000.0 nM 10.1016/j.ejmech.2021.113981
Homo sapiens Cytochrome P450 3A4 IC50 33000.0 nM 10.1016/j.ejmech.2021.113981
Homo sapiens Dopamine D1 receptor Activity 0.6 % 10.1021/jm400813y
Homo sapiens Dopamine D1 receptor Inhibition 82.0 % 10.1021/jm400813y
Homo sapiens Dopamine D2 receptor Activity 45.0 % 10.1021/jm400813y
Homo sapiens Dopamine D2 receptor Inhibition 90.0 % 10.1021/jm400813y
Homo sapiens Ferrochelatase, mitochondrial Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens HepG2 CC50 11800.0 nM 10.1016/j.bmc.2016.09.013
Homo sapiens HepG2 EC50 9800.0 nM 10.1016/j.ejmech.2018.05.022
Homo sapiens HepG2 IC50 2.0 ug.mL-1 10.1016/j.bmc.2013.09.065
Homo sapiens HepG2 IC50 11500.0 nM 10.1039/d2md00218c
Homo sapiens HepG2 IC50 nan None 10.1016/j.ejmech.2015.09.001
Homo sapiens HepG2 IC50 nan None 10.1021/acs.jmedchem.7b00140
Homo sapiens HepG2 Potency 11220.2 nM None
Homo sapiens HERG IC50 2600.0 nM 10.1016/j.bmcl.2015.02.044
Homo sapiens HERG IC50 15000.0 nM 10.1016/j.ejmech.2021.113981
Homo sapiens HERG Ki 1900.0 nM 10.1021/ml400015f
Homo sapiens Homo sapiens DILI_Concern nan None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens DILI_severity_class 7.0 None 10.1016/j.drudis.2016.02.015
Homo sapiens Homo sapiens T1/2 336.0 hr 10.1016/j.bmcl.2013.03.067
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 10000.0 nM None
Homo sapiens Plasma Stability 97.0 % 10.1021/acsmedchemlett.5b00296
Homo sapiens Plasma T1/2 1.0 hr 10.1016/j.bmc.2013.09.065
Homo sapiens Porphobilinogen deaminase Inhibition nan % 10.6019/CHEMBL3987221
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 8912.5 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 12589.3 nM None
Homo sapiens U-251 IC50 10000.0 nM 10.1016/j.ejmech.2018.12.033
Leishmania donovani Leishmania donovani IC50 2410.0 nM 10.6019/CHEMBL3392926
Leishmania donovani Leishmania donovani IC50 38580.0 nM 10.6019/CHEMBL3392926
Mesocricetus auratus BHK-21 CC50 20440.0 nM 10.1021/acs.jmedchem.9b00775
Mus musculus Brain Drug metabolism nan None 10.1021/acsmedchemlett.5b00296
Mus musculus Brain Drug uptake 1400.0 ng/ml 10.1021/acsmedchemlett.5b00296
Mus musculus Mus musculus Tmax 0.08333 hr 10.1021/acsmedchemlett.5b00296
Mus musculus Plasma Drug metabolism nan None 10.1021/acsmedchemlett.5b00296
Mus musculus Plasma T1/2 1.0 hr 10.1016/j.bmc.2013.09.065
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 5.0 ug.mL-1 10.1016/j.ejmech.2020.112175
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC 10000.0 nM 10.1016/j.ejmech.2021.114066
Mycobacterium tuberculosis Mycobacterium tuberculosis MIC90 10000.0 nM 10.1016/j.ejmech.2012.08.047
Plasmodium berghei Plasmodium berghei Activity 98.0 % 10.1016/j.bmc.2019.01.044
Plasmodium berghei Plasmodium berghei Activity 99.0 % 10.1016/j.bmc.2019.01.044
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1021/acs.jmedchem.5b01605
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1021/acs.jmedchem.6b01265
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1021/acs.jmedchem.7b00140
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1021/jm201214d
Plasmodium berghei Plasmodium berghei Activity 99.9 % 10.1021/jm5019719
Plasmodium berghei Plasmodium berghei Activity nan None 10.1021/acs.jmedchem.6b01586
Plasmodium berghei Plasmodium berghei Activity nan None 10.1021/acsmedchemlett.5b00296
Plasmodium berghei Plasmodium berghei Activity nan None 10.1021/jm00219a002
Plasmodium berghei Plasmodium berghei ED50 3.3 mg.kg-1 10.1016/j.bmcl.2013.03.067
Plasmodium berghei Plasmodium berghei IC50 2.0 ug.mL-1 10.1016/j.bmc.2013.09.065
Plasmodium berghei Plasmodium berghei Inhibition nan % 10.1021/acsmedchemlett.5b00296
Plasmodium berghei Plasmodium berghei MSD 29.0 day 10.1021/acs.jmedchem.5b01605
Plasmodium berghei Plasmodium berghei MSD 29.0 day 10.1021/acs.jmedchem.6b01265
Plasmodium berghei Plasmodium berghei MSD 29.0 day 10.1021/jm500098s
Plasmodium berghei Plasmodium berghei MSD 99.9 day 10.1021/jm500098s
Plasmodium berghei Plasmodium berghei MST 29.0 day 10.1021/acs.jmedchem.7b00140
Plasmodium berghei Plasmodium berghei Survival 15.5 day 10.1021/jm201214d
Plasmodium berghei Plasmodium berghei Survival 18.0 day 10.1021/acs.jmedchem.6b01586
Plasmodium berghei Plasmodium berghei Survival 19.8 day 10.1021/jm201214d
Plasmodium berghei Plasmodium berghei Survival 27.0 day 10.1021/acs.jmedchem.6b01586
Plasmodium berghei Plasmodium berghei Survival 29.0 day 10.1021/jm5019719
Plasmodium berghei Plasmodium berghei Survival 30.0 day 10.1016/j.bmc.2019.01.044
Plasmodium berghei Plasmodium berghei Survival 30.0 day 10.1021/acs.jmedchem.6b01586
Plasmodium berghei Plasmodium berghei Survival nan None 10.1021/acs.jmedchem.6b01586
Plasmodium chabaudi Plasmodium chabaudi Activity 0.0 % 10.1021/acsmedchemlett.5b00296
Plasmodium chabaudi Plasmodium chabaudi Activity 0.02 % 10.1021/acsmedchemlett.5b00296
Plasmodium chabaudi Plasmodium chabaudi Activity 4.8 % 10.1021/acsmedchemlett.5b00296
Plasmodium falciparum Hemozoin IC50 60000.0 nM 10.1021/acs.jmedchem.0c02022
Plasmodium falciparum Plasmodium falciparum Activity 99.6 % 10.1021/jm400004u
Plasmodium falciparum Plasmodium falciparum Activity 100.0 % 10.1016/j.bmcl.2021.127818
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1016/j.bmcl.2016.08.005
Plasmodium falciparum Plasmodium falciparum Activity nan None 10.1021/jm400004u
Plasmodium falciparum Plasmodium falciparum EC50 2.5 nM 10.1021/acsmedchemlett.5b00296
Plasmodium falciparum Plasmodium falciparum EC50 7.0 nM 10.1016/j.bmcl.2013.03.067
Plasmodium falciparum Plasmodium falciparum EC50 13.0 nM 10.1016/j.ejmech.2018.05.022
Plasmodium falciparum Plasmodium falciparum EC50 16.0 nM 10.1016/j.bmcl.2020.127348
Plasmodium falciparum Plasmodium falciparum EC50 34.0 nM 10.1021/acs.jmedchem.1c01995
Plasmodium falciparum Plasmodium falciparum ED90 7.7 mg kg-1 10.1021/acs.jmedchem.5b01605
Plasmodium falciparum Plasmodium falciparum IC50 0.0066 ug.mL-1 10.1016/j.bmc.2013.09.065
Plasmodium falciparum Plasmodium falciparum IC50 0.0167 ug.mL-1 10.1016/j.bmc.2013.09.065
Plasmodium falciparum Plasmodium falciparum IC50 0.4 nM 10.1021/ml2002136
Plasmodium falciparum Plasmodium falciparum IC50 2.4 nM 10.6019/CHEMBL3392926
Plasmodium falciparum Plasmodium falciparum IC50 4.93 nM 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum IC50 5.0 nM 10.1021/acs.jmedchem.5b01374
Plasmodium falciparum Plasmodium falciparum IC50 6.1 nM 10.1021/acs.jmedchem.8b01799
Plasmodium falciparum Plasmodium falciparum IC50 6.5 nM 10.1021/acs.jmedchem.7b00140
Plasmodium falciparum Plasmodium falciparum IC50 6.5 nM 10.1021/jm500811p
Plasmodium falciparum Plasmodium falciparum IC50 6.6 nM 10.1021/acs.jmedchem.7b00140
Plasmodium falciparum Plasmodium falciparum IC50 6.6 nM 10.1021/jm500811p
Plasmodium falciparum Plasmodium falciparum IC50 7.0 10^-2microM 10.1021/acs.jnatprod.0c01212
Plasmodium falciparum Plasmodium falciparum IC50 7.0 nM 10.1016/j.bmcl.2014.11.039
Plasmodium falciparum Plasmodium falciparum IC50 7.2 nM 10.1021/jm400004u
Plasmodium falciparum Plasmodium falciparum IC50 8.4 nM 10.1021/jm500098s
Plasmodium falciparum Plasmodium falciparum IC50 9.1 nM 10.1016/j.bmcl.2016.08.005
Plasmodium falciparum Plasmodium falciparum IC50 9.4 nM 10.1007/s00044-007-9025-8
Plasmodium falciparum Plasmodium falciparum IC50 12.0 nM 10.1016/j.ejmech.2021.113518
Plasmodium falciparum Plasmodium falciparum IC50 12.0 nM 10.1021/jm500098s
Plasmodium falciparum Plasmodium falciparum IC50 13.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 14.0 nM 10.1016/j.bmc.2021.116348
Plasmodium falciparum Plasmodium falciparum IC50 14.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 14.0 nM 10.1021/jm400004u
Plasmodium falciparum Plasmodium falciparum IC50 14.0 nM 10.1039/d2md00218c
Plasmodium falciparum Plasmodium falciparum IC50 15.0 nM 10.1016/j.ejmech.2014.05.037
Plasmodium falciparum Plasmodium falciparum IC50 15.25 nM 10.1016/j.ejmech.2019.05.043
Plasmodium falciparum Plasmodium falciparum IC50 15.7 nM 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum IC50 16.0 nM 10.1021/acs.jmedchem.5b01374
Plasmodium falciparum Plasmodium falciparum IC50 18.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 18.7 nM 10.1021/acs.jmedchem.8b01799
Plasmodium falciparum Plasmodium falciparum IC50 19.0 nM 10.1016/j.bmc.2019.01.044
Plasmodium falciparum Plasmodium falciparum IC50 19.01 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC50 20.0 nM 10.1016/j.bmcl.2012.10.126
Plasmodium falciparum Plasmodium falciparum IC50 20.0 nM 10.1016/j.bmcl.2014.11.039
Plasmodium falciparum Plasmodium falciparum IC50 20.0 nM 10.1021/ml2002136
Plasmodium falciparum Plasmodium falciparum IC50 22.0 nM 10.1016/j.bmcl.2016.08.005
Plasmodium falciparum Plasmodium falciparum IC50 22.95 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1007/s00044-007-9025-8
Plasmodium falciparum Plasmodium falciparum IC50 23.0 nM 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 26.9 nM 10.1016/j.ejmech.2015.09.001
Plasmodium falciparum Plasmodium falciparum IC50 26.9 nM 10.1021/acs.jnatprod.5b00961
Plasmodium falciparum Plasmodium falciparum IC50 28.3 nM 10.1016/j.ejmech.2021.113981
Plasmodium falciparum Plasmodium falciparum IC50 30.0 nM 10.1021/acs.jmedchem.1c00821
Plasmodium falciparum Plasmodium falciparum IC50 30.0 nM 10.1021/ml2002136
Plasmodium falciparum Plasmodium falciparum IC50 30.0 nM 10.1021/np5005328
Plasmodium falciparum Plasmodium falciparum IC50 31.0 nM 10.1021/np400268d
Plasmodium falciparum Plasmodium falciparum IC50 31.8 nM 10.1016/j.ejmech.2021.113981
Plasmodium falciparum Plasmodium falciparum IC50 36.0 nM 10.1021/acs.jmedchem.5b01374
Plasmodium falciparum Plasmodium falciparum IC50 36.5 nM 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum IC50 39.0 nM 10.1016/j.ejmech.2014.05.037
Plasmodium falciparum Plasmodium falciparum IC50 39.0 nM 10.1021/acs.jmedchem.8b01799
Plasmodium falciparum Plasmodium falciparum IC50 40.0 nM 10.1016/j.bmc.2016.09.013
Plasmodium falciparum Plasmodium falciparum IC50 40.0 nM 10.1016/j.ejmech.2014.01.023
Plasmodium falciparum Plasmodium falciparum IC50 50.0 nM 10.1016/j.bmcl.2012.10.126
Plasmodium falciparum Plasmodium falciparum IC50 54.1 nM 10.1016/j.ejmech.2021.113981
Plasmodium falciparum Plasmodium falciparum IC50 70.0 nM 10.1016/j.ejmech.2016.08.055
Plasmodium falciparum Plasmodium falciparum IC50 77.0 nM 10.1016/j.bmcl.2014.11.039
Plasmodium falciparum Plasmodium falciparum IC50 79.7 nM 10.1016/j.ejmech.2021.113981
Plasmodium falciparum Plasmodium falciparum IC50 80.0 nM 10.1021/ml2002136
Plasmodium falciparum Plasmodium falciparum IC50 87.0 nM 10.1016/j.bmcl.2021.127884
Plasmodium falciparum Plasmodium falciparum IC50 90.0 nM 10.1016/j.ejmech.2017.07.061
Plasmodium falciparum Plasmodium falciparum IC50 92.0 nM 10.1016/j.bmcl.2015.03.077
Plasmodium falciparum Plasmodium falciparum IC50 100.0 nM 10.1021/jm500811p
Plasmodium falciparum Plasmodium falciparum IC50 129.78 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC50 200.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 220.0 nM 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC50 300.0 nM 10.1016/j.ejmech.2017.07.061
Plasmodium falciparum Plasmodium falciparum IC50 8120.0 nM 10.1016/j.ejmech.2019.01.047
Plasmodium falciparum Plasmodium falciparum IC50 20000.0 nM 10.1016/j.bmcl.2014.10.015
Plasmodium falciparum Plasmodium falciparum IC50 38450.0 nM 10.1016/j.ejmech.2019.01.047
Plasmodium falciparum Plasmodium falciparum IC50 5600000.0 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC50 16500000.0 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/acs.jmedchem.8b01961
Plasmodium falciparum Plasmodium falciparum IC50 nan None 10.1021/jm4004279
Plasmodium falciparum Plasmodium falciparum IC90 15.25 nM 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum IC90 16.0 nM 10.1016/j.bmcl.2016.08.005
Plasmodium falciparum Plasmodium falciparum IC90 39.09 nM 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum IC90 44.76 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC90 134.07 nM 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum IC90 146.0 nM 10.1016/j.bmcl.2016.08.005
Plasmodium falciparum Plasmodium falciparum IC90 263.56 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum IC90 639.71 nM 10.1016/j.ejmech.2021.113408
Plasmodium falciparum Plasmodium falciparum Inhibition 50.0 % 10.1021/jm400325j
Plasmodium falciparum Plasmodium falciparum Inhibition 70.0 % 10.1016/j.bmcl.2016.08.005
Plasmodium falciparum Plasmodium falciparum Inhibition 100.0 % 10.1016/j.bmc.2016.09.013
Plasmodium falciparum Plasmodium falciparum Inhibition 100.0 % 10.1016/j.bmcl.2021.128216
Plasmodium falciparum Plasmodium falciparum Ratio 0.39 None 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum Ratio 3.43 None 10.1021/jm500033r
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.0 None 10.1016/j.bmc.2013.09.065
Plasmodium falciparum Plasmodium falciparum Ratio IC50 2.6 None 10.1016/j.bmcl.2012.10.126
Plasmodium falciparum Plasmodium falciparum Survival 22.0 day 10.1021/jm400004u
Plasmodium falciparum Plasmodium falciparum T1/2 6.2 hr 10.1021/acs.jmedchem.9b00761
Plasmodium falciparum Plasmodium falciparum TIME 720.0 hr 10.1016/j.bmcl.2021.127884
Plasmodium knowlesi Plasmodium knowlesi IC50 40.0 nM 10.1021/ml2002136
Plasmodium vivax Plasmodium vivax IC50 44.0 nM 10.1021/acs.jmedchem.8b01799
Rattus norvegicus L6 IC50 4500.0 nM 10.1021/jm500811p
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
Staphylococcus aureus Staphylococcus aureus MIC 16.0 ug.mL-1 10.1021/acs.jmedchem.8b01353
Staphylococcus epidermidis Staphylococcus epidermidis MIC 16.0 ug.mL-1 10.1021/acs.jmedchem.8b01353
Streptococcus pneumoniae Streptococcus pneumoniae MIC 0.4 ug.mL-1 10.1021/acs.jmedchem.8b01353
Trypanosoma brucei rhodesiense Trypanosoma brucei rhodesiense IC50 530.0 nM 10.6019/CHEMBL3392926
Trypanosoma cruzi Trypanosoma cruzi IC50 4480.0 nM 10.6019/CHEMBL3392926
Zika virus Zika virus EC50 3600.0 nM 10.1016/j.ejmech.2016.12.058
Zika virus Zika virus EC50 3950.0 nM 10.1021/acs.jmedchem.9b00775
Zika virus Zika virus Inhibition 78.8 % 10.1016/j.ejmech.2016.12.058
Zika virus Zika virus Ratio EC50 3.0 None 10.1016/j.ejmech.2016.12.058
None ADMET CL 20.0 mL.min-1.g-1 10.1016/j.ejmech.2021.113981
None ADMET CLH 0.002 ml/hr 10.1016/j.ejmech.2021.113981
None ADMET Cmax 132.16 nM 10.1021/acs.jmedchem.8b01353
None ADMET Drug recovery 91.0 % 10.1016/j.ejmech.2021.113981
None ADMET Drug uptake 1600.0 ng/g 10.1016/j.ejmech.2017.07.061
None ADMET Fu 3.2 ng/g 10.1016/j.ejmech.2017.07.061
None ADMET IC50 9500.0 nM 10.1016/j.ejmech.2014.01.023
None ADMET LD50 nan None 10.1016/j.bmcl.2015.03.077
None ADMET Papp 45.0 nm/s 10.1016/j.ejmech.2021.113981
None ADMET PPB 98.0 % 10.1021/acs.jmedchem.8b01353
None ADMET Ratio 1.6 None 10.1021/acsmedchemlett.5b00296
None ADMET Ratio IC50 821.0 None 10.1039/d2md00218c
None ADMET T1/2 23.0 hr 10.1016/j.ejmech.2017.07.061
None ADMET T1/2 480.0 hr 10.1021/acs.jmedchem.8b01353
None ADMET Vd 20.0 L.kg-1 10.1021/acs.jmedchem.8b01353
None Heme IC50 47000.0 nM 10.1007/s00044-007-9025-8
None NON-PROTEIN TARGET EC50 4500.0 nM 10.1128/aac.01614-08
None NON-PROTEIN TARGET IC50 3250.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET IC50 7230.0 nM 10.6019/CHEMBL3392926
None NON-PROTEIN TARGET IC50 nan None 10.1016/j.ejmech.2015.09.001
None No relevant target Kinetic_solubility nan None 10.1016/j.ejmech.2012.08.047
None Unchecked Activity nan None 10.1021/jm00219a002
None Unchecked EC50 15000.0 nM 10.1016/j.bmc.2019.01.044
None Unchecked IC50 400.0 nM 10.1016/j.bmc.2019.05.014
None Unchecked IC50 2400.0 nM 10.1016/j.bmc.2019.05.014
None Unchecked IC50 12150.0 nM 10.1021/ml500015r
None Unchecked Inhibition nan % 10.1021/acs.jmedchem.8b01961
None Unchecked Potency 11220.2 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Ratio CC50/EC50 58.0 None 10.1016/j.ejmech.2016.12.058
None Unchecked Ratio CC50/IC50 241.0 None 10.1016/j.bmcl.2021.127884
None Unchecked Ratio CC50/IC50 295.0 None 10.1016/j.bmc.2016.09.013
None Unchecked Ratio IC50 1.9 None 10.1016/j.ejmech.2021.113981
None Unchecked Ratio IC50 2.5 None 10.1016/j.ejmech.2021.113981
None Unchecked Ratio IC50 686.0 None 10.1021/jm500811p
None Unchecked Ratio IC50 nan None 10.1021/acs.jmedchem.7b00140
None Unchecked Selectivity Index 163.0 None 10.1016/j.bmc.2019.01.044

Metabolism Information