Molecule

Quinine

AlkaPlorer ID: AK000055

Synonym: None

IUPAC Name: (R)-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol

Structure

SMILES: C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)C1=CC=NC2=CC=C(OC)C=C12

InChI: InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1

InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N

Reference

Inhibitory Effects of Plant Secondary Metabolites on Cytotoxic Activity of Polymorphonuclear Leucocytes

PubChem CID: 3034034

CAS: 130-89-2

LOTUS: LTS0095286

SuperNatural Ⅲ: SN0211371-19

NPASS: NPC118832

{

NPAtlas: NPA000031

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cryptolepis sanguinolenta	Cryptolepis	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Diaporthe sp.	Diaporthe	Diaporthaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Crinum amabile	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 324.4240000000001

TPSA？: 45.59

MolLogP？: 3.1732000000000014

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Canis lupus familiaris	MDCK	logPapp	-4.66	None	10.1021/jm901846t
Chikungunya virus	Chikungunya virus	IC50	0.1	ug.mL-1	10.1016/j.bmc.2017.06.049
Cricetulus griseus	CHO	Activity	0.0	%	10.1021/np50028a027
Cricetulus griseus	CHO	Activity	nan	None	10.1021/np50028a027
Dengue virus	Dengue virus	Activity	19.0	%	10.1016/j.ejmech.2019.05.010
Dengue virus	Dengue virus	Inhibition	80.0	%	10.1016/j.ejmech.2020.112275
Entamoeba histolytica	Entamoeba histolytica	IC50	14.8	ug.mL-1	10.1007/s00044-011-9767-1
Entamoeba histolytica	Entamoeba histolytica	IC50	nan	None	10.1016/j.bmcl.2016.12.043
Enterococcus faecium	Enterococcus faecium	IC50	2500000.0	nM	10.1021/jm00212a010
Escherichia coli	Escherichia coli	IC50	1300000.0	nM	10.1021/jm00212a010
Hepacivirus hominis	Hepatitis C virus	Inhibition	nan	%	10.1016/j.bmc.2010.03.024
Homo sapiens	5637	IC50	50000.0	nM	10.1016/j.bmcl.2013.04.069
Homo sapiens	A2780	IC50	nan	None	10.1016/j.bmc.2009.02.022
Homo sapiens	A-431	ED50	20.0	ug ml-1	10.1021/np50091a005
Homo sapiens	Acetylcholinesterase	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	5452.1	nM	10.1038/s41467-023-40064-9
Homo sapiens	Androgen Receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bile salt export pump	AC50	300000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Bile salt export pump	IC50	98830.0	nM	10.1124/dmd.112.047068
Homo sapiens	Bile salt export pump	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Bile salt export pump	IC50	135000.0	nM	10.1093/toxsci/kfq269
Homo sapiens	Canalicular multispecific organic anion transporter 1	Activity	75.0	%	10.1021/jm7015683
Homo sapiens	Canalicular multispecific organic anion transporter 1	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Canalicular multispecific organic anion transporter 2	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Cyclooxygenase-1	AC50	10000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cyclooxygenase-1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Cytochrome P450 2D6	IC50	10.0	nM	10.1016/j.ejmech.2019.111857
Homo sapiens	Cytochrome P450 2D6	IC50	610.0	nM	10.1021/jm0209578
Homo sapiens	Cytochrome P450 2D6	IC50	1800.0	nM	10.1021/jm0508538
Homo sapiens	Cytochrome P450 2D6	Ki	4600.0	nM	10.1021/jm00061a004
Homo sapiens	Cytochrome P450 2D6	Ki	5500.0	nM	10.1021/jm00061a004
Homo sapiens	Cytochrome P450 2D6	Ki	15000.0	nM	10.1021/jm00061a004
Homo sapiens	Cytochrome P450 2D6	Ki	21000.0	nM	10.1021/jm00061a004
Homo sapiens	Cytochrome P450 3A4	Activity	nan	None	None
Homo sapiens	Cytochrome P450 3A4	Log 1/Km	-2.026	None	10.1016/j.bmcl.2005.06.015
Homo sapiens	Dopamine D1 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine D3 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Dopamine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	EJ	Activity	nan	None	10.1016/j.bmcl.2013.04.069
Homo sapiens	EJ	IC50	50000.0	nM	10.1016/j.bmcl.2013.04.069
Homo sapiens	Estrogen receptor alpha	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Gamma-aminobutyric acid receptor subunit alpha-1/alpha-2/beta-2/gamma-2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	H4	Activity	60.7	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	70.35	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	78.03	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	94.35	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	99.32	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	103.56	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	110.94	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	115.16	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	146.94	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	160.38	%	10.1073/pnas.0709695104
Homo sapiens	H4	Activity	165.01	%	10.1073/pnas.0709695104
Homo sapiens	HEK293	IC50	134350.0	nM	10.1016/j.ejmech.2021.113330
Homo sapiens	HEK293	IC50	275600.0	nM	10.1016/j.bmcl.2016.12.043
Homo sapiens	HeLa	IC50	50000.0	nM	10.1016/j.bmcl.2013.04.069
Homo sapiens	HepG2	CC50	100000.0	nM	10.1021/acs.jmedchem.8b01353
Homo sapiens	HERG	AC50	23999.9	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	-15.0	%	10.6019/CHEMBL4808148
Homo sapiens	Histone deacetylase 6	Inhibition	-9.11	%	10.6019/CHEMBL4808148
Homo sapiens	Homo sapiens	CL	1.6	mL.min-1.kg-1	10.1021/jm901371v
Homo sapiens	Homo sapiens	CL	1.9	mL.min-1.kg-1	10.1021/jm900403j
Homo sapiens	Homo sapiens	CL	1.9	mL.min-1.kg-1	10.1021/jm901371v
Homo sapiens	Homo sapiens	CL_renal	0.3	mL.min-1.kg-1	10.1021/jm900403j
Homo sapiens	Homo sapiens	CL_renal	0.3	mL.min-1.kg-1	10.1021/jm901371v
Homo sapiens	Homo sapiens	DILI_Concern	nan	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	DILI_severity_class	3.0	None	10.1016/j.drudis.2016.02.015
Homo sapiens	Homo sapiens	F	80.0	%	10.1021/jm901846t
Homo sapiens	Homo sapiens	Fa	0.8	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	F_fraction	0.76	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	Fg	1.02	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	Fh	0.93	None	10.1021/jm901371v
Homo sapiens	Homo sapiens	Vdss	1.6	L.kg-1	10.1016/j.ejmech.2009.06.004
Homo sapiens	Homo sapiens	Vdss	1.8	L.kg-1	10.1021/jm901371v
Homo sapiens	HT-1080	ED50	20.0	ug ml-1	10.1021/np50091a005
Homo sapiens	Huh-7	CC50	6250.0	nM	10.1073/pnas.0802982105
Homo sapiens	Jurkat	IC50	50000.0	nM	10.1016/j.bmcl.2013.04.069
Homo sapiens	KB	ED50	20.0	ug ml-1	10.1021/np010037c
Homo sapiens	KB	ED50	20.0	ug ml-1	10.1021/np050510c
Homo sapiens	KB	ED50	20.0	ug ml-1	10.1021/np50091a005
Homo sapiens	KB	ED50	55400.0	nM	10.1021/np980144f
Homo sapiens	KB	IC50	20.0	ug.mL-1	10.1021/np50090a014
Homo sapiens	KB	IC50	20.0	ug.mL-1	10.1021/np9602325
Homo sapiens	KB	IC50	20.0	ug.mL-1	10.1021/np9605394
Homo sapiens	LNCaP	ED50	20.0	ug ml-1	10.1021/np50091a005
Homo sapiens	MES-SA	Activity	nan	None	10.1016/j.bmc.2022.116855
Homo sapiens	MES-SA	IC50	91000.0	nM	10.1016/j.bmc.2022.116855
Homo sapiens	MES-SA	IC50	93000.0	nM	10.1016/j.bmc.2022.116855
Homo sapiens	MES-SA/Dx5	Activity	nan	None	10.1016/j.bmc.2022.116855
Homo sapiens	MES-SA/Dx5	IC50	43000.0	nM	10.1016/j.bmc.2022.116855
Homo sapiens	MES-SA/Dx5	IC50	67000.0	nM	10.1016/j.bmc.2022.116855
Homo sapiens	Monoamine oxidase A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Multidrug resistance-associated protein 4	IC50	133000.0	nM	10.1093/toxsci/kft176
Homo sapiens	Mu opioid receptor	AC50	8375.5	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M1	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Muscarinic acetylcholine receptor M2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Norepinephrine transporter	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	PC-3	IC50	50000.0	nM	10.1016/j.bmcl.2013.04.069
Homo sapiens	P-glycoprotein 1	Activity	nan	None	10.1016/j.bbrc.2004.01.156
Homo sapiens	P-glycoprotein 1	Activity	nan	None	10.1016/s0928-0987(00)00097-x
Homo sapiens	P-glycoprotein 1	Binding site fraction	0.2	None	10.1021/jm020941h
Homo sapiens	P-glycoprotein 1	IC50	1700.0	nM	10.1016/j.ejmech.2019.05.027
Homo sapiens	P-glycoprotein 1	IC50	22600.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	74400.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	87600.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	112400.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	159300.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	167800.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	184900.0	nM	10.1006/bbrc.2001.6000
Homo sapiens	P-glycoprotein 1	IC50	430000.0	nM	10.1021/jm020941h
Homo sapiens	P-glycoprotein 1	Ki	12000.0	nM	10.1021/jm020941h
Homo sapiens	P-glycoprotein 1	Km	10000.0	nM	10.1074/jbc.271.6.3163
Homo sapiens	Phosphodiesterase 3A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Phosphodiesterase 4A	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Potassium channel subfamily K member 3	Inhibition	20.0	%	10.1021/acs.jmedchem.9b00248
Homo sapiens	Potassium channel subfamily K member 9	Inhibition	36.9	%	10.1021/acs.jmedchem.9b00248
Homo sapiens	Progesterone receptor	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 2b (5-HT2b) receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serotonin transporter	AC50	12456.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Serum albumin	Binding	34.6	%	10.1021/jm991174y
Homo sapiens	Serum albumin	Kd	309029.54	nM	10.1021/jm7012826
Homo sapiens	Serum albumin	Log K'	0.49	None	10.1021/jm010960b
Homo sapiens	SK-MEL-2	ED50	20.0	ug ml-1	10.1021/np50091a005
Homo sapiens	Sodium channel alpha subunits; brain (Types I, II, III)	IC50	4400.0	nM	10.1021/jm00381a019
Homo sapiens	Sodium channel alpha subunits; brain (Types I, II, III)	Inhibition	69.3	%	10.1021/jm00381a019
Homo sapiens	Solute carrier family 22 member 1	Activity	nan	None	10.1038/nrd3028
Homo sapiens	Solute carrier family 22 member 1	Activity	nan	None	10.1124/mol.51.6.913
Homo sapiens	Solute carrier family 22 member 1	IC50	51600.0	nM	10.1021/jm8003152
Homo sapiens	Solute carrier family 22 member 1	Inhibition	60.2	%	10.1021/jm8003152
Homo sapiens	Solute carrier family 22 member 1	Ki	22900.0	nM	None
Homo sapiens	Solute carrier family 22 member 2	Activity	nan	None	10.1074/jbc.m108472200
Homo sapiens	Solute carrier family 22 member 2	Ki	3400.0	nM	10.1089/dna.1997.16.871
Homo sapiens	Solute carrier family 22 member 2	Km	2600.0	nM	10.1089/dna.1997.16.871
Homo sapiens	Solute carrier family 22 member 3	Inhibition	nan	%	10.1016/j.bmcl.2017.08.008
Homo sapiens	Solute carrier family 22 member 4	Activity	24.6	%	None
Homo sapiens	Solute carrier family 22 member 5	Activity	7.1	%	None
Homo sapiens	Solute carrier organic anion transporter family member 1B1	Inhibition	54.0	%	10.1021/jm300212s
Homo sapiens	Solute carrier organic anion transporter family member 1B3	Inhibition	-1.3	%	10.1021/jm300212s
Homo sapiens	Solute carrier organic anion transporter family member 2B1	Inhibition	-22.9	%	10.1021/jm300212s
Homo sapiens	Thrombin	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Thromboxane A2 receptor	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	23715.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	26608.6	nM	None
Homo sapiens	Vascular endothelial growth factor receptor 2	AC50	30000.0	nM	10.1038/s41467-023-40064-9
Homo sapiens	WI-38	IC50	6.56	ug.mL-1	10.1016/j.ejmech.2013.06.004
Homo sapiens	ZR-75-1	ED50	1.2	ug ml-1	10.1021/np50091a005
Lacticaseibacillus casei	Lacticaseibacillus casei	IC50	980000.0	nM	10.1021/jm00212a010
Lacticaseibacillus casei	Lacticaseibacillus casei	IC50	1200000.0	nM	10.1021/jm00212a010
Lacticaseibacillus casei	Lacticaseibacillus casei	Inhibition	nan	%	10.1021/jm00212a010
Lacticaseibacillus casei	Lacticaseibacillus casei	Ratio IC50	1.0	None	10.1021/jm00212a010
Leishmania major	Leishmania major	EC50	9410.0	nM	10.1128/aac.01545-10
Leishmania major	Leishmania major	EC50	9530.0	nM	10.1128/aac.01545-10
Leishmania major	Leishmania major	Ratio EC50	1.0	None	10.1128/aac.01545-10
Leishmania mexicana mexicana	Leishmania mexicana mexicana	IC50	20.0	ug.mL-1	10.1016/j.ejmech.2013.06.004
Mus musculus	FM3A	EC50	100000.0	nM	10.1016/j.bmcl.2004.01.055
Mus musculus	FM3A	EC50	100000.0	nM	10.1016/j.bmcl.2006.02.030
Mus musculus	FM3A	EC50	100000.0	nM	10.1016/s0960-894x(00)00313-9
Mus musculus	FM3A	EC50	100000.0	nM	10.1021/jm0155704
Mus musculus	FM3A	Ratio EC50	910.0	None	10.1016/j.bmcl.2006.02.030
Mus musculus	FM3A	Selective toxicity	910.0	None	10.1016/j.bmcl.2004.01.055
Mus musculus	FM3A	Toxicity ratio	910.0	None	10.1021/jm0155704
Mus musculus	Mus musculus	Activity	nan	None	10.1021/jm00229a006
Mus musculus	Mus musculus	MED	nan	None	10.1021/jm00229a006
Mus musculus	P388	ED50	5.0	ug ml-1	10.1021/np50091a004
Mus musculus	P388	ED50	5.0	ug ml-1	10.1021/np50091a005
Mus musculus	ScN2a	IC50	10000.0	nM	10.1021/jm070688r
Mus musculus	Solute carrier family 22 member 1	IC50	280.0	nM	10.1016/s0006-291x(02)00926-9
Mus musculus	Solute carrier family 22 member 2	IC50	2800.0	nM	10.1016/s0006-291x(02)00926-9
Mycobacterium tuberculosis	Mycobacterium tuberculosis	Inhibition	95.0	%	10.1016/j.ejmech.2012.08.047
Mycobacterium tuberculosis	Mycobacterium tuberculosis	Inhibition	98.0	%	10.1016/j.ejmech.2012.08.047
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC	100.0	ug.mL-1	10.1016/j.bmc.2009.01.013
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	119700.0	nM	10.1016/j.ejmech.2012.08.047
Mycobacterium tuberculosis	Mycobacterium tuberculosis	MIC90	122000.0	nM	10.1016/j.ejmech.2012.08.047
Plasmodium berghei	Plasmodium berghei	Activity	0.0	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	Activity	7.3	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	Activity	11.6	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	Activity	14.0	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	Activity	26.0	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	Activity	32.0	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	Activity	45.0	%	10.1021/jm900672t
Plasmodium berghei	Plasmodium berghei	ED50	71.0	mg.kg-1	10.1021/jm020142z
Plasmodium berghei	Plasmodium berghei	ED50	83.0	mg.kg-1	10.1021/jm020142z
Plasmodium berghei	Plasmodium berghei	ED90	118.0	mg kg-1	10.1021/jm020142z
Plasmodium berghei	Plasmodium berghei	ED90	1050.0	mg kg-1	10.1021/jm020142z
Plasmodium berghei	Plasmodium berghei	Inhibition	50.0	%	10.1021/jm400325j
Plasmodium berghei	Plasmodium berghei	log(1/C)	2.06	None	10.1021/jm00190a007
Plasmodium berghei	Plasmodium berghei	MCD	640.0	mg kg-1	10.1021/jm00212a010
Plasmodium berghei	Plasmodium berghei	MED	640.0	mg kg-1	10.1021/jm00212a010
Plasmodium berghei	Plasmodium berghei	MST	0.2	day	10.1021/jm00134a002
Plasmodium berghei	Plasmodium berghei	MST	0.6	day	10.1021/jm00229a006
Plasmodium berghei	Plasmodium berghei	MST	1.0	day	10.1021/jm00134a002
Plasmodium berghei	Plasmodium berghei	MST	1.4	day	10.1021/jm00134a002
Plasmodium berghei	Plasmodium berghei	MST	2.0	day	10.1021/jm00134a002
Plasmodium berghei	Plasmodium berghei	MST	3.2	day	10.1021/jm00134a002
Plasmodium berghei	Plasmodium berghei	MST	4.8	day	10.1021/jm00229a006
Plasmodium berghei	Plasmodium berghei	MST	5.4	day	10.1021/jm00134a002
Plasmodium berghei	Plasmodium berghei	SD90	74.5	mg kg-1 day-1	10.1021/jm00134a002
Plasmodium falciparum	Ferriprotoporphyrin IX	IC50	80.0	ug.mL-1	10.1016/s0960-894x(03)00509-2
Plasmodium falciparum	Ferriprotoporphyrin IX	IC50	250000.0	nM	10.1016/s0960-894x(03)00509-2
Plasmodium falciparum	Ferriprotoporphyrin IX	Index	11.0	%	10.1016/s0960-894x(03)00509-2
Plasmodium falciparum	Histidine-rich protein	IC50	7400000000.0	nM	10.1021/np0496284
Plasmodium falciparum	Plasmodium falciparum	Activity	0.0	%	10.1128/aac.00610-09
Plasmodium falciparum	Plasmodium falciparum	Activity	57.3	%	10.1021/np9605394
Plasmodium falciparum	Plasmodium falciparum	Activity	264.0	%	10.1021/np9605394
Plasmodium falciparum	Plasmodium falciparum	DC50	1.3	ug ml-1	10.1021/np049696q
Plasmodium falciparum	Plasmodium falciparum	EC50	110.0	nM	10.1016/j.bmcl.2004.01.055
Plasmodium falciparum	Plasmodium falciparum	EC50	110.0	nM	10.1016/j.bmcl.2006.02.030
Plasmodium falciparum	Plasmodium falciparum	EC50	110.0	nM	10.1016/s0960-894x(00)00313-9
Plasmodium falciparum	Plasmodium falciparum	EC50	110.0	nM	10.1021/jm0155704
Plasmodium falciparum	Plasmodium falciparum	EC50	993.0	nM	10.1073/pnas.0802982105
Plasmodium falciparum	Plasmodium falciparum	EC50	1317.0	nM	10.1073/pnas.0802982105
Plasmodium falciparum	Plasmodium falciparum	ED50	7.6	ng/ml	10.1021/np50091a004
Plasmodium falciparum	Plasmodium falciparum	ED50	7.6	ng/ml	10.1021/np50091a005
Plasmodium falciparum	Plasmodium falciparum	ED50	9.4	ng/ml	10.1021/np50099a005
Plasmodium falciparum	Plasmodium falciparum	ED50	9.4	ug ml-1	10.1021/np50098a017
Plasmodium falciparum	Plasmodium falciparum	ED50	20.8	ng/ml	10.1021/np50112a013
Plasmodium falciparum	Plasmodium falciparum	ED50	24.5	ng/ml	10.1021/np50099a005
Plasmodium falciparum	Plasmodium falciparum	ED50	24.5	ug ml-1	10.1021/np50098a017
Plasmodium falciparum	Plasmodium falciparum	ED50	30.8	ng/ml	10.1021/np50091a004
Plasmodium falciparum	Plasmodium falciparum	ED50	30.8	ng/ml	10.1021/np50091a005
Plasmodium falciparum	Plasmodium falciparum	ED50	59.2	ng/ml	10.1021/np50112a013
Plasmodium falciparum	Plasmodium falciparum	IC50	0.00361	ug.mL-1	10.1021/jm00126a017
Plasmodium falciparum	Plasmodium falciparum	IC50	0.005	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.009	ug.mL-1	10.1021/np010037c
Plasmodium falciparum	Plasmodium falciparum	IC50	0.00908	ug.mL-1	10.1021/jm020142z
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0102	ug.mL-1	10.1021/np50090a014
Plasmodium falciparum	Plasmodium falciparum	IC50	0.011	ug.mL-1	10.1021/np050510c
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0111	ug.mL-1	10.1021/np9602325
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0113	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0119	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.012	ug.mL-1	10.1021/np50101a014
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0148	ug.mL-1	10.1021/np9605394
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0149	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0157	ug.mL-1	10.1021/np960195h
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0158	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0176	ug.mL-1	10.1021/np9605246
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0194	ug.mL-1	10.1021/np50077a020
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0196	ug.mL-1	10.1021/np0101752
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0238	ug.mL-1	10.1021/np50090a014
Plasmodium falciparum	Plasmodium falciparum	IC50	0.029	ug.mL-1	10.1021/np050510c
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0349	ug.mL-1	10.1021/np9605394
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0352	ug.mL-1	10.1021/np9605246
Plasmodium falciparum	Plasmodium falciparum	IC50	0.036	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0388	ug.mL-1	10.1021/np960195h
Plasmodium falciparum	Plasmodium falciparum	IC50	0.04	ug.mL-1	10.1016/j.bmcl.2010.01.095
Plasmodium falciparum	Plasmodium falciparum	IC50	0.041	ug.mL-1	10.1021/np010037c
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0546	ug.mL-1	10.1021/np9602325
Plasmodium falciparum	Plasmodium falciparum	IC50	0.05829	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.059	ug.mL-1	10.1021/jm00126a017
Plasmodium falciparum	Plasmodium falciparum	IC50	0.06436	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0686	ug.mL-1	10.1021/np50101a014
Plasmodium falciparum	Plasmodium falciparum	IC50	0.08282	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0923	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.0996	ug.mL-1	10.1021/jm020142z
Plasmodium falciparum	Plasmodium falciparum	IC50	0.102	ug.mL-1	10.1021/np0101752
Plasmodium falciparum	Plasmodium falciparum	IC50	0.102	ug.mL-1	10.1021/np9605246
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1144	ug.mL-1	10.1021/np50077a020
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1164	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1233	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1285	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1499	ug.mL-1	10.1021/jm020142z
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1596	ug.mL-1	10.1021/jm020142z
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1623	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.1675	ug.mL-1	10.1128/aac.01607-06
Plasmodium falciparum	Plasmodium falciparum	IC50	0.2	ug.mL-1	10.1016/j.ejmech.2013.06.004
Plasmodium falciparum	Plasmodium falciparum	IC50	0.26	ug.mL-1	10.1016/j.ejmech.2021.113865
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.bmc.2017.10.041
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.bmc.2019.06.038
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.bmcl.2021.127819
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.ejmech.2012.05.004
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.ejmech.2014.02.015
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.ejmech.2014.07.008
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.ejmech.2018.11.026
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.ejmech.2019.04.043
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1016/j.ejmech.2020.112652
Plasmodium falciparum	Plasmodium falciparum	IC50	0.268	ug.mL-1	10.1039/d2md00076h
Plasmodium falciparum	Plasmodium falciparum	IC50	0.271	ug.mL-1	10.1016/j.bmcl.2016.06.038
Plasmodium falciparum	Plasmodium falciparum	IC50	0.7	nM	10.1016/j.ejmech.2012.08.047
Plasmodium falciparum	Plasmodium falciparum	IC50	5.8	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	6.7	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	11.0	nM	10.1016/j.bmc.2007.10.083
Plasmodium falciparum	Plasmodium falciparum	IC50	12.0	nM	10.1016/j.ejmech.2008.10.025
Plasmodium falciparum	Plasmodium falciparum	IC50	15.4	nM	10.1128/aac.01412-09
Plasmodium falciparum	Plasmodium falciparum	IC50	18.0	nM	10.1016/j.bmc.2014.12.018
Plasmodium falciparum	Plasmodium falciparum	IC50	18.0	nM	10.1016/j.ejmech.2017.07.061
Plasmodium falciparum	Plasmodium falciparum	IC50	18.0	nM	10.1016/j.ejmech.2018.01.039
Plasmodium falciparum	Plasmodium falciparum	IC50	18.67	nM	10.1016/j.ejmech.2013.10.079
Plasmodium falciparum	Plasmodium falciparum	IC50	18.7	nM	10.1016/j.ejmech.2012.08.047
Plasmodium falciparum	Plasmodium falciparum	IC50	20.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	20.4	nM	10.1016/j.ejmech.2012.08.047
Plasmodium falciparum	Plasmodium falciparum	IC50	22.0	nM	10.1016/j.ejmech.2021.113865
Plasmodium falciparum	Plasmodium falciparum	IC50	22.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	23.38	nM	10.1021/np980144f
Plasmodium falciparum	Plasmodium falciparum	IC50	25.0	ug.mL-1	10.1021/np050315y
Plasmodium falciparum	Plasmodium falciparum	IC50	27.1	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	27.8	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	29.0	ug.mL-1	10.1007/s00044-012-0328-z
Plasmodium falciparum	Plasmodium falciparum	IC50	30.6	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	31.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	32.8	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	34.0	nM	10.1007/s00044-007-9025-8
Plasmodium falciparum	Plasmodium falciparum	IC50	35.9	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	36.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	40.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	41.5	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	42.4	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	45.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	48.0	nM	10.1021/jm00036a014
Plasmodium falciparum	Plasmodium falciparum	IC50	48.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	48.0	nM	10.1128/aac.01462-08
Plasmodium falciparum	Plasmodium falciparum	IC50	53.7	nM	10.1128/aac.00610-09
Plasmodium falciparum	Plasmodium falciparum	IC50	54.1	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	55.8	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	57.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	58.0	nM	10.1016/j.bmc.2016.05.060
Plasmodium falciparum	Plasmodium falciparum	IC50	58.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	60.0	nM	10.1016/j.bmc.2007.10.083
Plasmodium falciparum	Plasmodium falciparum	IC50	61.8	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	62.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	62.77	nM	10.1128/aac.01144-06
Plasmodium falciparum	Plasmodium falciparum	IC50	66.0	nM	10.1016/j.ejmech.2019.111983
Plasmodium falciparum	Plasmodium falciparum	IC50	66.0	nM	10.1128/aac.01677-08
Plasmodium falciparum	Plasmodium falciparum	IC50	66.52	nM	10.1128/aac.01144-06
Plasmodium falciparum	Plasmodium falciparum	IC50	67.0	ug.mL-1	10.1021/np050315y
Plasmodium falciparum	Plasmodium falciparum	IC50	69.19	nM	10.1128/aac.01144-06
Plasmodium falciparum	Plasmodium falciparum	IC50	70.0	nM	10.1128/aac.01677-08
Plasmodium falciparum	Plasmodium falciparum	IC50	73.3	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	73.5	nM	10.1016/j.bmcl.2007.04.054
Plasmodium falciparum	Plasmodium falciparum	IC50	73.9	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	73.96	nM	10.1128/aac.00057-08
Plasmodium falciparum	Plasmodium falciparum	IC50	74.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	74.2	nM	10.1016/j.ejmech.2021.113981
Plasmodium falciparum	Plasmodium falciparum	IC50	75.3	nM	10.1016/j.bmcl.2007.04.054
Plasmodium falciparum	Plasmodium falciparum	IC50	77.13	nM	10.1128/aac.00057-08
Plasmodium falciparum	Plasmodium falciparum	IC50	78.2	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	80.0	nM	10.1016/j.ejmech.2015.02.047
Plasmodium falciparum	Plasmodium falciparum	IC50	80.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	80.1	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	81.0	nM	10.1007/s00044-007-9025-8
Plasmodium falciparum	Plasmodium falciparum	IC50	81.0	nM	10.1016/j.bmc.2012.03.042
Plasmodium falciparum	Plasmodium falciparum	IC50	81.0	nM	10.1016/j.ejmech.2008.02.005
Plasmodium falciparum	Plasmodium falciparum	IC50	83.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	91.6	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	92.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	94.4	nM	10.1128/aac.01412-09
Plasmodium falciparum	Plasmodium falciparum	IC50	96.0	nM	10.1016/s0960-894x(01)00798-3
Plasmodium falciparum	Plasmodium falciparum	IC50	96.8	nM	10.1016/j.bmcl.2007.04.054
Plasmodium falciparum	Plasmodium falciparum	IC50	100.0	nM	10.1021/jm00036a014
Plasmodium falciparum	Plasmodium falciparum	IC50	103.8	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	105.68	nM	10.1128/aac.00312-09
Plasmodium falciparum	Plasmodium falciparum	IC50	106.9	nM	10.1128/aac.01412-09
Plasmodium falciparum	Plasmodium falciparum	IC50	108.0	nM	10.1016/j.ejmech.2021.113330
Plasmodium falciparum	Plasmodium falciparum	IC50	108.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	109.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	110.0	nM	10.1016/j.ejmech.2018.01.039
Plasmodium falciparum	Plasmodium falciparum	IC50	110.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	112.0	nM	10.1039/C1MD00022E
Plasmodium falciparum	Plasmodium falciparum	IC50	113.0	nM	10.1016/j.ejmech.2015.02.047
Plasmodium falciparum	Plasmodium falciparum	IC50	118.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	120.0	nM	10.1016/s0960-894x(02)00173-7
Plasmodium falciparum	Plasmodium falciparum	IC50	120.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	128.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	130.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	130.3	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	133.0	nM	10.1128/aac.01689-08
Plasmodium falciparum	Plasmodium falciparum	IC50	134.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	135.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	138.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	140.0	nM	10.1016/j.ejmech.2011.02.004
Plasmodium falciparum	Plasmodium falciparum	IC50	140.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	141.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	141.1	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	142.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	145.8	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	148.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	149.0	nM	10.1016/j.bmcl.2007.04.054
Plasmodium falciparum	Plasmodium falciparum	IC50	149.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	160.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	164.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	170.0	nM	10.1016/j.bmc.2013.03.052
Plasmodium falciparum	Plasmodium falciparum	IC50	178.0	nM	10.1039/C1MD00022E
Plasmodium falciparum	Plasmodium falciparum	IC50	178.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	179.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	180.0	nM	10.1016/j.bmcl.2016.12.043
Plasmodium falciparum	Plasmodium falciparum	IC50	180.0	nM	10.1016/j.ejmech.2009.07.021
Plasmodium falciparum	Plasmodium falciparum	IC50	181.5	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	182.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	188.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	191.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	197.0	nM	10.1021/acs.jmedchem.8b01961
Plasmodium falciparum	Plasmodium falciparum	IC50	197.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	199.0	nM	10.1016/j.ejmech.2015.02.047
Plasmodium falciparum	Plasmodium falciparum	IC50	199.0	nM	10.1021/acs.jmedchem.8b01961
Plasmodium falciparum	Plasmodium falciparum	IC50	200.0	nM	10.1021/np020070e
Plasmodium falciparum	Plasmodium falciparum	IC50	204.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	204.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	207.7	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	208.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	210.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	210.5	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	211.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	215.0	nM	10.1021/acs.jmedchem.8b01961
Plasmodium falciparum	Plasmodium falciparum	IC50	218.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	220.0	nM	10.1016/j.bmc.2009.02.022
Plasmodium falciparum	Plasmodium falciparum	IC50	223.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	227.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	234.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	236.1	nM	10.1128/aac.01412-09
Plasmodium falciparum	Plasmodium falciparum	IC50	240.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	243.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	249.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	250.0	nM	10.1021/np980144f
Plasmodium falciparum	Plasmodium falciparum	IC50	254.0	nM	10.1021/acs.jmedchem.8b01961
Plasmodium falciparum	Plasmodium falciparum	IC50	258.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	260.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	267.92	nM	10.1016/j.bmc.2019.06.038
Plasmodium falciparum	Plasmodium falciparum	IC50	269.0	nM	10.1021/np000285t
Plasmodium falciparum	Plasmodium falciparum	IC50	269.0	nM	10.1021/np020070e
Plasmodium falciparum	Plasmodium falciparum	IC50	270.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	270.2	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	270.4	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	271.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	272.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	276.0	nM	10.1128/aac.01412-09
Plasmodium falciparum	Plasmodium falciparum	IC50	282.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	284.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	286.0	nM	10.1016/j.ejmech.2020.112652
Plasmodium falciparum	Plasmodium falciparum	IC50	288.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	290.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	296.6	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	298.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	300.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	300.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	302.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	306.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	312.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	314.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	314.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	319.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	320.0	nM	10.1016/j.bmc.2012.03.042
Plasmodium falciparum	Plasmodium falciparum	IC50	320.0	nM	10.1038/nchembio.215
Plasmodium falciparum	Plasmodium falciparum	IC50	321.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	322.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	324.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	333.3	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	334.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	365.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	370.0	nM	10.1016/s0960-894x(02)00173-7
Plasmodium falciparum	Plasmodium falciparum	IC50	371.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	371.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	373.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	380.0	nM	10.1016/s0960-894x(00)00684-3
Plasmodium falciparum	Plasmodium falciparum	IC50	380.0	nM	10.1016/s0960-894x(01)00798-3
Plasmodium falciparum	Plasmodium falciparum	IC50	380.0	nM	10.1016/s0960-894x(02)00555-3
Plasmodium falciparum	Plasmodium falciparum	IC50	380.0	nM	10.1016/s0960-894x(03)00353-6
Plasmodium falciparum	Plasmodium falciparum	IC50	388.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	407.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	413.0	nM	10.1021/np000285t
Plasmodium falciparum	Plasmodium falciparum	IC50	413.0	nM	10.1021/np020070e
Plasmodium falciparum	Plasmodium falciparum	IC50	421.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	421.7	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	427.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	428.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	428.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	431.0	nM	10.1016/j.ejmech.2015.02.047
Plasmodium falciparum	Plasmodium falciparum	IC50	433.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	447.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	448.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	453.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	456.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	462.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	468.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	473.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	473.9	nM	10.1016/j.ejmech.2021.113981
Plasmodium falciparum	Plasmodium falciparum	IC50	475.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	490.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	490.8	nM	10.1128/aac.01412-09
Plasmodium falciparum	Plasmodium falciparum	IC50	495.3	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	495.5	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	500.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	500.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	502.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	513.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	514.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	530.9	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	535.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	538.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	543.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	543.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	543.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	543.3	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	549.2	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	562.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	569.5	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC50	571.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	571.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	574.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	575.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	579.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	580.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	580.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	582.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	583.0	nM	10.1039/C1MD00022E
Plasmodium falciparum	Plasmodium falciparum	IC50	583.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	599.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	600.0	nM	10.1039/d2md00392a
Plasmodium falciparum	Plasmodium falciparum	IC50	602.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	604.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	605.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	607.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	608.0	nM	10.1039/C1MD00022E
Plasmodium falciparum	Plasmodium falciparum	IC50	619.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	619.4	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	625.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	626.6	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	629.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	632.7	nM	10.1016/j.ejmech.2015.05.044
Plasmodium falciparum	Plasmodium falciparum	IC50	650.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	650.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	650.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	661.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	665.3	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	670.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	680.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	683.9	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	686.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	688.7	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC50	710.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	711.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	716.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	720.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	764.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	767.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	821.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	826.0	nM	10.1016/j.bmcl.2021.127855
Plasmodium falciparum	Plasmodium falciparum	IC50	826.0	nM	10.1016/j.ejmech.2016.02.016
Plasmodium falciparum	Plasmodium falciparum	IC50	837.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	853.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	870.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	874.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	875.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	886.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	894.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	905.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	917.0	nM	10.1039/C1MD00022E
Plasmodium falciparum	Plasmodium falciparum	IC50	953.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	969.0	nM	10.1128/aac.00183-10
Plasmodium falciparum	Plasmodium falciparum	IC50	1016.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	1034.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	1039.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	1068.0	nM	10.1039/C1MD00022E
Plasmodium falciparum	Plasmodium falciparum	IC50	1099.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	1128.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	1295.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	1310.0	nM	10.1128/aac.01243-08
Plasmodium falciparum	Plasmodium falciparum	IC50	2123.0	nM	10.1128/aac.00321-10
Plasmodium falciparum	Plasmodium falciparum	IC50	54000.0	nM	10.1016/j.bmc.2010.01.068
Plasmodium falciparum	Plasmodium falciparum	IC50	162000.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	186000.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	456000.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	520000.0	nM	10.1021/jm901357n
Plasmodium falciparum	Plasmodium falciparum	IC50	nan	None	10.1016/j.bmc.2009.02.022
Plasmodium falciparum	Plasmodium falciparum	IC50	nan	None	10.1021/acs.jmedchem.8b01961
Plasmodium falciparum	Plasmodium falciparum	IC90	0.09	ug.mL-1	10.1016/j.bmcl.2010.01.095
Plasmodium falciparum	Plasmodium falciparum	IC90	0.1728	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC90	125.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC90	157.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC90	389.9	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	440.92	nM	10.1128/aac.00312-09
Plasmodium falciparum	Plasmodium falciparum	IC90	464.5	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	471.0	nM	10.1128/aac.00325-10
Plasmodium falciparum	Plasmodium falciparum	IC90	597.0	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	613.8	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	843.3	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	995.4	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1106.6	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1111.7	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1199.5	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1247.4	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1510.1	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1636.8	nM	10.1021/jm9018383
Plasmodium falciparum	Plasmodium falciparum	IC90	1718.0	nM	10.1021/np000285t
Plasmodium falciparum	Plasmodium falciparum	IC90	1720.0	nM	10.1021/np020070e
Plasmodium falciparum	Plasmodium falciparum	IC90	1910.0	nM	10.1021/np020070e
Plasmodium falciparum	Plasmodium falciparum	IC90	1913.0	nM	10.1021/np000285t
Plasmodium falciparum	Plasmodium falciparum	IC90	2740.0	nM	10.1021/np020070e
Plasmodium falciparum	Plasmodium falciparum	IC99	0.2511	ug.mL-1	10.1128/aac.01023-06
Plasmodium falciparum	Plasmodium falciparum	IC99	300.0	nM	10.1021/jm00036a014
Plasmodium falciparum	Plasmodium falciparum	IC99	673.42	nM	10.1128/aac.00312-09
Plasmodium falciparum	Plasmodium falciparum	Inhibition	84.0	%	10.1128/aac.01478-07
Plasmodium falciparum	Plasmodium falciparum	Inhibition	nan	%	10.1128/aac.01478-07
Plasmodium falciparum	Plasmodium falciparum	Inhibitory ratio	45.3	None	10.1016/s0960-894x(01)00467-x
Plasmodium falciparum	Plasmodium falciparum	MIC>99	0.83	uM	10.1016/j.ejmech.2017.04.029
Plasmodium yoelii	Plasmodium yoelii	ED50	120.0	mg.kg-1	10.1021/jm020142z
Plasmodium yoelii	Plasmodium yoelii	ED50	128.0	mg.kg-1	10.1021/jm020142z
Plasmodium yoelii	Plasmodium yoelii	ED90	29.0	mg kg-1	10.1021/jm020142z
Plasmodium yoelii	Plasmodium yoelii	ED90	56.0	mg kg-1	10.1021/jm020142z
Rattus norvegicus	Brain	Fu	0.082	None	10.1124/dmd.110.035998
Rattus norvegicus	Brain	Kp	3.51	None	10.1124/dmd.110.035998
Rattus norvegicus	Brain	Vd	43.0	L.kg-1	10.1124/dmd.110.035998
Rattus norvegicus	Colon	log%Abs	1.3	None	10.1021/jm00211a010
Rattus norvegicus	Cytochrome P450 2D1	IC50	46500.0	nM	10.1021/jm0209578
Rattus norvegicus	Cytochrome P450 2D18	IC50	1700.0	nM	10.1021/jm0209578
Rattus norvegicus	Cytochrome P450 2D2	IC50	94.0	nM	10.1021/jm0209578
Rattus norvegicus	Cytochrome P450 2D3	IC50	12000.0	nM	10.1021/jm0209578
Rattus norvegicus	Plasma	Fu	0.3	None	10.1021/jm901371v
Rattus norvegicus	Plasma	logFu	0.07	None	10.1016/j.ejmech.2009.06.004
Rattus norvegicus	Small intestine	log%Abs	1.18	None	10.1021/jm00211a010
Rattus norvegicus	Solute carrier family 22 member 1	Activity	nan	None	10.1016/0014-5793(96)01030-7
Rattus norvegicus	Solute carrier family 22 member 1	Activity	nan	None	10.1074/jbc.m108472200
Rattus norvegicus	Solute carrier family 22 member 1	IC50	900.0	nM	10.1124/jpet.102.038885
Rattus norvegicus	Solute carrier family 22 member 1	IC50	1100.0	nM	10.1124/jpet.102.038885
Rattus norvegicus	Solute carrier family 22 member 1	IC50	4100.0	nM	10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus	Solute carrier family 22 member 1	Ki	930.0	nM	10.1038/372549a0
Rattus norvegicus	Solute carrier family 22 member 1	Ki	4300.0	nM	10.1007/bf00171063
Rattus norvegicus	Solute carrier family 22 member 1	Km	270.0	nM	10.1074/jbc.271.51.32599
Rattus norvegicus	Solute carrier family 22 member 2	Activity	nan	None	10.1074/jbc.m108472200
Rattus norvegicus	Solute carrier family 22 member 2	Activity	nan	None	10.1152/ajprenal.1999.277.6.f890
Rattus norvegicus	Solute carrier family 22 member 2	IC50	13000.0	nM	10.1124/jpet.102.038885
Rattus norvegicus	Solute carrier family 22 member 2	IC50	38000.0	nM	10.1124/jpet.102.038885
Rattus norvegicus	Solute carrier family 22 member 2	Ki	55000.0	nM	10.1152/ajprenal.2001.281.3.f454
Rattus norvegicus	Solute carrier organic anion transporter family member 1A1	Ki	76700.0	nM	10.1023/a:1014264614637
Rattus norvegicus	Solute carrier organic anion transporter family member 1A4	Ki	3810.0	nM	10.1023/a:1014264614637
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	6.66	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	16.93	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	24.14	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.1408	None	10.1101/2020.04.21.054387
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Hit score	0.2113	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	-0.1	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.06	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	0.23	%	10.6019/CHEMBL4495565
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	45.57	%	10.21203/rs.3.rs-23951/v1
Staphylococcus aureus	Staphylococcus aureus	Activity	nan	None	10.1016/j.bmcl.2007.05.065
Streptococcus pneumoniae	Streptococcus pneumoniae	MIC	395000.0	nM	10.1021/acs.jmedchem.8b01353
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	6.87	ug.mL-1	10.1016/j.ejmech.2013.06.004
Trypanosoma brucei brucei	Trypanosoma brucei brucei	IC50	21200.0	nM	10.1016/j.ejmech.2015.05.044
None	ADMET	Activity	0.0	%	10.1016/j.bmcl.2007.05.065
None	ADMET	Activity	1.22	%	10.1016/j.ejmech.2011.02.004
None	ADMET	Activity	2.14	%	10.1016/j.bmc.2013.03.052
None	ADMET	Activity	nan	None	10.1007/s00044-012-0328-z
None	ADMET	Activity	nan	None	10.1016/j.bmcl.2013.04.069
None	ADMET	CL	1.9	mL.min-1.kg-1	10.1124/dmd.108.020479
None	ADMET	delta logD	-0.88	None	10.1021/jm0000564
None	ADMET	ED50	3.7	ug ml-1	10.1021/np50091a005
None	ADMET	ED50	5.6	ug ml-1	10.1021/np50091a005
None	ADMET	ED50	20.0	ug ml-1	10.1021/np50091a005
None	ADMET	F	80.0	%	10.1021/jm0000564
None	ADMET	IC50	20250.0	nM	10.1016/j.ejmech.2015.05.044
None	ADMET	IC50	nan	ug.mL-1	10.1016/s0960-894x(02)00350-5
None	ADMET	IC50	nan	None	10.1021/jm901357n
None	ADMET	Inhibition	nan	%	10.1016/j.bmc.2010.03.024
None	ADMET	MRT	16.0	hr	10.1124/dmd.108.020479
None	ADMET	Papp	4.07	None	10.1021/jm7012826
None	ADMET	Ratio IC50	1243.98	None	10.1016/j.ejmech.2021.113330
None	ADMET	Ratio IC50	nan	None	10.1021/jm901357n
None	ADMET	T1/2	11.0	hr	10.1124/dmd.108.020479
None	ADMET	Vdss	1.8	L.kg-1	10.1124/dmd.108.020479
None	Heme	Activity	4.4	None	10.1021/jm8012618
None	Heme	Activity	nan	None	10.1038/nchembio806
None	Heme	IC50	65000.0	nM	10.1007/s00044-007-9025-8
None	Heme	Inhibition	nan	%	10.1038/nchembio806
None	Heme	log Ks	4.1	None	10.1021/jm8012757
None	Heme	log Ks	4.4	None	10.1021/jm8012757
None	Hepatotoxicity	DILI positive/negative	1.0	None	10.1371/journal.pcbi.1002310
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1021/tx1000865
None	Hepatotoxicity	Hepatotoxicity	nan	None	10.1124/dmd.110.035113
None	Molecular identity unknown	Activity	nan	None	10.1021/np970433o
None	NON-PROTEIN TARGET	ED50	20.0	ug ml-1	10.1021/np50091a004
None	NON-PROTEIN TARGET	Fu	0.3	None	10.1124/dmd.108.020479
None	NON-PROTEIN TARGET	Hepatotoxicity (acute)	0.0	%	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)	4.0	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)	15.4	%	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	0.1	ug.mL-1	10.1021/jm400460d
None	NON-PROTEIN TARGET	IC50	780000.0	nM	10.1021/jm00212a010
None	NON-PROTEIN TARGET	IC50	850000.0	nM	10.1021/jm00212a010
None	NON-PROTEIN TARGET	Inhibition	nan	%	10.1021/jm00212a010
None	NON-PROTEIN TARGET	Ratio	1.0	None	10.1021/jm00134a002
None	No relevant target	LogD	-1.27	None	10.1021/jm00211a010
None	No relevant target	LogD	0.34	None	10.1021/jm0000564
None	No relevant target	LogD7.4	2.16	None	10.6019/CHEMBL3301361
None	No relevant target	LogD7.4	2.26	None	10.6019/CHEMBL3301361
None	No relevant target	Log Kmemb	0.4	None	10.1021/jm0309001
None	No relevant target	LogP	1.83	None	10.1021/jm00211a010
None	No relevant target	Log PNalk	1.75	None	10.1021/jm048980b
None	No relevant target	pKa	1.6	None	10.1021/jm00211a010
None	No relevant target	pKa	3.1	None	10.1021/jm00211a010
None	No relevant target	pKa	8.5	None	10.1021/jm020941h
None	No relevant target	pKa	8.55	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	8.56	None	10.1007/s11095-013-1232-z
None	No relevant target	pKa	8.8	None	10.1016/j.ejmech.2009.06.004
None	No relevant target	pKa	8.8	None	10.1021/jm0000564
None	No relevant target	pKa	8.8	None	10.1124/dmd.110.035998
None	No relevant target	pKa	9.13	None	10.1021/jm020941h
None	No relevant target	Solubility	186680.0	nM	10.1016/j.ejmech.2012.08.047
None	No relevant target	Solubility	1445400.0	nM	10.6019/CHEMBL3301361
None	Radical scavenging activity	Activity	2.65	%	10.1016/j.ejmech.2011.02.004
None	Unchecked	Ac50	5.012	uM	None
None	Unchecked	Ac50	22.39	uM	None
None	Unchecked	Ac50	25.12	uM	None
None	Unchecked	AC50	5011.9	nM	None
None	Unchecked	AC50	22387.2	nM	None
None	Unchecked	AC50	22390.0	nM	None
None	Unchecked	AC50	25118.9	nM	None
None	Unchecked	Activity	1.0	%	10.1039/d2md00392a
None	Unchecked	Activity	nan	None	10.1016/j.bmcl.2008.09.030
None	Unchecked	Activity	nan	None	10.1021/acsmedchemlett.8b00222
None	Unchecked	Hepatotoxicity (acute)	4.0	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)	2.0	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)	3.0	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	0.17	ug.mL-1	10.1016/s0960-894x(02)00350-5
None	Unchecked	IC50	3500.0	nM	10.1021/jm400282d
None	Unchecked	IC50	5480.0	nM	10.1021/jm400282d
None	Unchecked	IC50	22080.0	nM	10.1016/j.bmc.2013.03.052
None	Unchecked	IC50	34000.0	nM	10.1016/j.bmc.2012.03.042
None	Unchecked	IC50	41600.0	nM	10.1021/jm400282d
None	Unchecked	IC50	64800.0	nM	10.1021/jm400282d
None	Unchecked	IC50	65800.0	nM	10.1016/j.ejmech.2011.02.004
None	Unchecked	IC50	78000.0	nM	10.1021/jm400282d
None	Unchecked	IC50	100000.0	nM	10.1021/jm400282d
None	Unchecked	IC50	150000.0	nM	10.1016/j.bmcl.2004.05.031
None	Unchecked	IC50	160000.0	nM	10.1021/jm400282d
None	Unchecked	IC50	201000.0	nM	10.1021/jm400282d
None	Unchecked	IC50	291000.0	nM	10.1016/j.bmc.2012.03.042
None	Unchecked	IC50	324000.0	nM	10.1016/j.ejmech.2012.03.007
None	Unchecked	IC50	365000.0	nM	10.1021/jm400282d
None	Unchecked	IC50	430000.0	nM	10.1021/jm400282d
None	Unchecked	IC50	360000000000.0	nM	10.1021/np0496284
None	Unchecked	IFI	2.013	%	10.1073/pnas.0802982105
None	Unchecked	Inhibition	nan	%	10.1021/acs.jmedchem.8b01961
None	Unchecked	Ka	0.2	10^5/M	10.1016/j.bmc.2007.10.083
None	Unchecked	Kd	556000.0	nM	10.1021/jm991174y
None	Unchecked	Potency	2818.4	nM	None
None	Unchecked	Potency	25118.9	nM	None
None	Unchecked	Potency	35481.3	nM	None
None	Unchecked	Ratio ED50	182.0	None	10.1021/np50091a005
None	Unchecked	Ratio ED50	649.0	None	10.1021/np50091a005
None	Unchecked	Ratio ED50	658.0	None	10.1021/np50091a005
None	Unchecked	Ratio ED50	737.0	None	10.1021/np50091a005
None	Unchecked	Ratio ED50	820.0	None	10.1021/np50098a017
None	Unchecked	Ratio ED50	820.0	None	10.1021/np50099a005
None	Unchecked	Ratio ED50	2130.0	None	10.1021/np50098a017
None	Unchecked	Ratio ED50	2130.0	None	10.1021/np50099a005
None	Unchecked	Ratio ED50	2631.0	None	10.1021/np50091a005
None	Unchecked	Ratio ED50	2916.0	None	10.1021/np50091a005
None	Unchecked	Ratio IC50	0.2	None	10.1016/j.ejmech.2021.113981
None	Unchecked	Ratio IC50	0.5	None	10.1016/j.bmc.2022.116855
None	Unchecked	Ratio IC50	0.7	None	10.1016/j.bmc.2022.116855
None	Unchecked	Ratio IC50	1.0	None	10.1016/j.ejmech.2013.06.004
None	Unchecked	Ratio IC50	1.0	None	10.1016/j.ejmech.2015.05.044
None	Unchecked	Ratio IC50	1.0	None	10.1021/jm00212a010
None	Unchecked	Ratio IC50	32.0	None	10.1016/j.ejmech.2013.06.004
None	Unchecked	Ratio IC50	32.0	None	10.1016/j.ejmech.2015.05.044
None	Unchecked	Ratio IC50	370.0	None	10.1021/np9602325
None	Unchecked	Ratio IC50	700.0	None	10.1021/np050510c
None	Unchecked	Ratio IC50	1494.58	None	10.1016/j.bmcl.2016.12.043
None	Unchecked	Ratio IC50	1800.0	None	10.1021/np9602325
None	Unchecked	Ratio IC50	1830.0	None	10.1021/np050510c
None	Unchecked	Ratio IC50	nan	None	10.1016/j.ejmech.2013.06.004
None	Unchecked	Selectivity	910.0	None	10.1016/s0960-894x(00)00313-9
None	Unchecked	Selectivity Index	222.0	None	10.1021/np980144f
None	Unchecked	Selectivity Index	285.0	None	10.1021/np980144f
None	Unchecked	Selectivity Index	340.0	None	10.1021/np50112a013
None	Unchecked	Selectivity Index	490.0	None	10.1021/np010037c
None	Unchecked	Selectivity Index	960.0	None	10.1021/np50112a013
None	Unchecked	Selectivity Index	2000.0	None	10.1021/np010037c

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT001895	C=C[C@H]1CN2CC[C@@H]1CC2C(=O)c1ccnc2ccc(OC)cc12>>C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	RXN-9212
AKRT001896	C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12>>C=C[C@]1(O)CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	enzymemap_13664
AKRT001899	C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12>>C=C[C@@]1(O)C[N@@H+]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12	MNXR149293