TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 472.743 | Formula: C31H52O3
H donors: 2 H acceptors: 2 LogP: 7.34 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@H]1C=C2[C@H]([C@]3([C@@H]1[C@]1(C)CC[C@@H]([C@]1(CC3)C)[C@@H](C[C@H](C=C(C)C)O)C)C)CC[C@@H](C2(C)C)O
InChi: 1S/C31H52O3/c1-19(2)16-21(32)17-20(3)22-12-13-31(8)27-25(34-9)18-24-23(10-11-26(33)28(24,4)5)29(27,6)14-15-30(22,31)7/h16,18,20-23,25-27,32-33H,10-15,17H2,1-9H3/t20-,21+,22-,23-,25+,26+,27-,29+,30-,31+/m1/s1
InChiKey: MTYMFIWYWSHNSU-NLUPGCNDSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.00500199	0.12454	0.150298
Echinococcus granulosus	semaphorin 1A	0.00500199	0.12454	0.12454
Echinococcus granulosus	Protein patched homolog 1	0.0287006	0.828622	0.828622
Loa Loa (eye worm)	AGC/AKT protein kinase	0.00103424	0.00665914	0.00803639
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.00103424	0.00665914	0.00665914
Echinococcus granulosus	voltage gated potassium channel	0.00123443	0.0126067	0.0126067
Echinococcus multilocularis	potassium voltage gated channel protein	0.00123443	0.0126067	0.0126067
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.00215808	0.0400482	0.0406212
Loa Loa (eye worm)	hypothetical protein	0.00439346	0.106461	0.12848
Echinococcus multilocularis	serine threonine protein kinase	0.00489793	0.121449	0.121449
Brugia malayi	Probable exocyst complex component Sec5	0.00215808	0.0400482	0.0483311
Schistosoma mansoni	semaphorin 5-related	0.00500199	0.12454	0.12454
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0102385	0.280116	0.332687
Echinococcus granulosus	protein kinase c iota type	0.00161818	0.0240079	0.0240079
Echinococcus multilocularis	serine:threonine protein kinase N2	0.00103424	0.00665914	0.00665914
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0171934	0.486744	0.587414
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Echinococcus granulosus	exocyst complex component 2	0.00215808	0.0400482	0.0400482
Schistosoma mansoni	hypothetical protein	0.00500199	0.12454	0.12454
Echinococcus multilocularis	hypothetical protein	0.00500199	0.12454	0.12454
Echinococcus granulosus	calcium activated potassium channel	0.00088098	0.00210585	0.00210585
Echinococcus multilocularis	protein patched	0.0287006	0.828622	0.828622
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0287006	0.828622	1
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.00103424	0.00665914	0.00803639
Echinococcus granulosus	serine:threonine protein kinase Chk2	0.034469	1	1
Brugia malayi	Protein kinase domain containing protein	0.00103424	0.00665914	0.00803639
Schistosoma mansoni	plexin	0.0113162	0.312134	0.312134
Echinococcus multilocularis	protein kinase c epsilon type	0.00167235	0.0256173	0.0256173
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.00215808	0.0400482	0.0406212
Trichomonas vaginalis	conserved hypothetical protein	0.0287006	0.828622	1
Loa Loa (eye worm)	hypothetical protein	0.00631419	0.163526	0.197346
Loa Loa (eye worm)	hypothetical protein	0.00380952	0.0891124	0.107543
Schistosoma mansoni	voltage-gated potassium channel	0.0171934	0.486744	0.486744
Loa Loa (eye worm)	sema domain-containing protein	0.00500199	0.12454	0.150298
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.00123443	0.0126067	0.0126067
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.00103424	0.00665914	0.00665914
Echinococcus granulosus	protein kinase C gamma type	0.00489793	0.121449	0.121449
Echinococcus granulosus	raf serine:threonine protein kinase	0.00115703	0.0103072	0.0103072
Echinococcus multilocularis	serine:threonine protein kinase N2	0.00103424	0.00665914	0.00665914
Echinococcus granulosus	potassium voltage gated channel protein	0.0171934	0.486744	0.486744
Echinococcus multilocularis	raf serine:threonine protein kinase	0.00115703	0.0103072	0.0103072
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Brugia malayi	Hr1 repeat family protein	0.00103424	0.00665914	0.00803639
Loa Loa (eye worm)	hypothetical protein	0.00103424	0.00665914	0.00803639
Entamoeba histolytica	protein kinase, putative	0.034469	1	1
Brugia malayi	IPT/TIG domain containing protein	0.00215808	0.0400482	0.0483311
Schistosoma mansoni	hypothetical protein	0.00215808	0.0400482	0.0400482
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.00167235	0.0256173	0.0309155
Echinococcus multilocularis	serine:threonine protein kinase Chk2	0.034469	1	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.00548187	0.138798	0.138798
Echinococcus multilocularis	shaker cognate	0.00123443	0.0126067	0.0126067
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.00123443	0.0126067	0.015214
Echinococcus granulosus	NDR protein kinase	0.00103424	0.00665914	0.00665914
Brugia malayi	hypothetical protein	0.00500199	0.12454	0.150298
Entamoeba histolytica	protein kinase domain containing protein	0.00273116	0.0570745	0.0507534
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.00123443	0.0126067	0.015214
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0287006	0.828622	0.828622
Echinococcus multilocularis	sterol regulatory element binding protein	0.0287006	0.828622	0.828622
Schistosoma mansoni	fibrocystin l	0.00215808	0.0400482	0.0400482
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0166138	0.469525	0.469525
Echinococcus granulosus	sterol regulatory element binding protein	0.0287006	0.828622	0.828622
Entamoeba histolytica	hypothetical protein	0.00215808	0.0400482	0.0336129
Loa Loa (eye worm)	hypothetical protein	0.00500199	0.12454	0.150298
Schistosoma mansoni	voltage-gated potassium channel	0.00123443	0.0126067	0.0126067
Echinococcus granulosus	shaker cognate	0.00123443	0.0126067	0.0126067
Schistosoma mansoni	serine/threonine protein kinase	0.00548187	0.138798	0.138798
Schistosoma mansoni	serine/threonine protein kinase	0.00103424	0.00665914	0.00665914
Schistosoma mansoni	voltage-gated potassium channel	0.00123443	0.0126067	0.0126067
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.0251928	0.724404	0.5
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.0251928	0.724404	0.5
Entamoeba histolytica	hypothetical protein	0.00215808	0.0400482	0.0336129
Schistosoma mansoni	patched 1	0.0287006	0.828622	0.828622
Schistosoma mansoni	vesicular amine transporter	0.00123443	0.0126067	0.0126067
Echinococcus multilocularis	plexin a4	0.0134743	0.37625	0.37625
Schistosoma mansoni	serine/threonine protein kinase	0.00103424	0.00665914	0.00665914
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.0251928	0.724404	0.724404
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.00103424	0.00665914	0.00803639
Echinococcus granulosus	potassium voltage gated channel protein	0.00123443	0.0126067	0.0126067
Echinococcus granulosus	RNA directed DNA polymerase	0.00380952	0.0891124	0.0891124
Entamoeba histolytica	protein kinase, putative	0.034469	1	1
Echinococcus granulosus	semaphorin 5B	0.00500199	0.12454	0.12454
Echinococcus multilocularis	transcription factor collier	0.00215808	0.0400482	0.0400482
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.00215808	0.0400482	0.0406212
Brugia malayi	Protein kinase domain containing protein	0.00103424	0.00665914	0.00803639
Entamoeba histolytica	hypothetical protein	0.00215808	0.0400482	0.0336129
Schistosoma mansoni	serine/threonine protein kinase	0.00103424	0.00665914	0.00665914
Loa Loa (eye worm)	hypothetical protein	0.00123443	0.0126067	0.015214
Loa Loa (eye worm)	hypothetical protein	0.00215808	0.0400482	0.0483311
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.0251928	0.724404	0.724404
Echinococcus multilocularis	voltage gated potassium channel	0.00123443	0.0126067	0.0126067
Echinococcus multilocularis	calcium activated potassium channel	0.00088098	0.00210585	0.00210585
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.00103424	0.00665914	0.00665914
Loa Loa (eye worm)	hypothetical protein	0.0287006	0.828622	1
Schistosoma mansoni	voltage-gated potassium channel	0.00123443	0.0126067	0.0126067
Schistosoma mansoni	serine/threonine protein kinase	0.00115703	0.0103072	0.0103072
Schistosoma mansoni	serine/threonine protein kinase	0.034469	1	1
Loa Loa (eye worm)	hypothetical protein	0.00500199	0.12454	0.150298
Brugia malayi	hypothetical protein	0.00500199	0.12454	0.150298
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.00103424	0.00665914	0.00665914
Brugia malayi	Sema domain containing protein	0.00500199	0.12454	0.150298
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.00103424	0.00665914	0.00803639
Loa Loa (eye worm)	hypothetical protein	0.0171934	0.486744	0.587414
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.0251928	0.724404	0.874227
Echinococcus multilocularis	protein kinase c iota type	0.00161818	0.0240079	0.0240079
Echinococcus multilocularis	potassium voltage gated channel protein	0.0171934	0.486744	0.486744
Brugia malayi	Sema domain containing protein	0.00500199	0.12454	0.150298
Loa Loa (eye worm)	AGC/NDR protein kinase	0.00103424	0.00665914	0.00803639
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.00123443	0.0126067	0.0126067
Loa Loa (eye worm)	sema domain-containing protein	0.00500199	0.12454	0.150298
Echinococcus granulosus	Protein kinase C brain isozyme	0.00548187	0.138798	0.138798
Loa Loa (eye worm)	hypothetical protein	0.00215808	0.0400482	0.0483311
Schistosoma mansoni	voltage-gated potassium channel	0.00123443	0.0126067	0.0126067
Brugia malayi	Protein kinase domain containing protein	0.00103424	0.00665914	0.00803639
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0171934	0.486744	0.486744
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.00123443	0.0126067	0.0126067
Brugia malayi	CHE-14 protein	0.0287006	0.828622	1
Schistosoma mansoni	serine/threonine protein kinase	0.00103424	0.00665914	0.00665914
Echinococcus multilocularis	semaphorin 5B	0.00500199	0.12454	0.12454
Brugia malayi	Plexin repeat family protein	0.0113162	0.312134	0.37669
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0102385	0.280116	0.332687
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Schistosoma mansoni	atypical protein kinase C	0.00161818	0.0240079	0.0240079
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.0251928	0.724404	0.724404
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.00408985	0.0974408	0.117594
Echinococcus granulosus	potassium voltage gated channel protein	0.00123443	0.0126067	0.0126067
Loa Loa (eye worm)	hypothetical protein	0.00500199	0.12454	0.150298
Echinococcus multilocularis	RNA directed DNA polymerase	0.00380952	0.0891124	0.0891124
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0102385	0.280116	0.332687
Schistosoma mansoni	serine/threonine protein kinase	0.00167235	0.0256173	0.0256173
Loa Loa (eye worm)	plexin A	0.0134743	0.37625	0.454067
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.00123443	0.0126067	0.0126067
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.00103424	0.00665914	0.00665914
Schistosoma mansoni	plexin	0.00631419	0.163526	0.163526
Echinococcus multilocularis	exocyst complex component 2	0.00215808	0.0400482	0.0400482
Loa Loa (eye worm)	hypothetical protein	0.00500199	0.12454	0.150298
Loa Loa (eye worm)	hypothetical protein	0.00215808	0.0400482	0.0483311
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0251928	0.724404	1
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.00103424	0.00665914	0.00665914
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.00123443	0.0126067	0.0126067
Entamoeba histolytica	cell surface protease gp63, putative	0.00215808	0.0400482	0.0336129
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0102385	0.280116	0.5
Loa Loa (eye worm)	voltage-gated potassium channel	0.00123443	0.0126067	0.015214
Echinococcus multilocularis	Niemann Pick C1 protein	0.0287006	0.828622	0.828622
Echinococcus multilocularis	potassium voltage gated channel protein	0.00123443	0.0126067	0.0126067
Echinococcus granulosus	calcium:calmodulin dependent protein kinase I	0.0344468	0.999341	0.999341
Brugia malayi	p70 ribosomal S6 kinase beta	0.00103424	0.00665914	0.00803639
Entamoeba histolytica	tyrosin kinase, putative	0.00273116	0.0570745	0.0507534
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.00123443	0.0126067	0.0126067
Entamoeba histolytica	hypothetical protein	0.00215808	0.0400482	0.0336129
Echinococcus multilocularis	transfer RNA-Gly	0.00123443	0.0126067	0.0126067
Loa Loa (eye worm)	hypothetical protein	0.00215808	0.0400482	0.0483311
Echinococcus granulosus	transcription factor collier	0.00215808	0.0400482	0.0400482
Onchocerca volvulus		0.0113162	0.312134	1
Schistosoma mansoni	hypothetical protein	0.00215808	0.0400482	0.0400482
Echinococcus granulosus	serine:threonine protein kinase N2	0.00103424	0.00665914	0.00665914
Echinococcus multilocularis	serine:threonine protein kinase 38	0.00103424	0.00665914	0.00665914
Echinococcus granulosus	plexin a4	0.0134743	0.37625	0.37625
Brugia malayi	protein kinase C II.	0.00167235	0.0256173	0.0309155
Loa Loa (eye worm)	hypothetical protein	0.0113162	0.312134	0.37669
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.00380952	0.0891124	0.0891124
Schistosoma mansoni	voltage-gated potassium channel	0.00123443	0.0126067	0.0126067
Loa Loa (eye worm)	AGC/PKN protein kinase	0.00103424	0.00665914	0.00803639
Schistosoma mansoni	serine/threonine protein kinase	0.00548187	0.138798	0.138798
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.00103424	0.00665914	0.00803639
Brugia malayi	Protein kinase c protein 2	0.00467379	0.11479	0.138531
Echinococcus granulosus	Niemann Pick C1 protein	0.0287006	0.828622	0.828622
Brugia malayi	DNA-binding protein LAG-1	0.00215808	0.0400482	0.0483311
Echinococcus multilocularis	protein dispatched 1	0.0287006	0.828622	0.828622
Trichomonas vaginalis	conserved hypothetical protein	0.00215808	0.0400482	0.0406212
Toxoplasma gondii	AGC kinase	0.00103424	0.00665914	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0171934	0.486744	0.486744
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.00123443	0.0126067	0.0126067
Schistosoma mansoni	hypothetical protein	0.00631419	0.163526	0.163526
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase I	0.0344468	0.999341	0.999341
Schistosoma mansoni	voltage-gated potassium channel	0.00123443	0.0126067	0.0126067
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.00215808	0.0400482	0.0406212
Brugia malayi	plexin A	0.0134743	0.37625	0.454067
Loa Loa (eye worm)	hypothetical protein	0.0251928	0.724404	0.874227
Schistosoma mansoni	serine/threonine kinase	0.00103424	0.00665914	0.00665914
Schistosoma mansoni	hypothetical protein	0.00500199	0.12454	0.12454
Echinococcus granulosus	protein kinase c epsilon type	0.00167235	0.0256173	0.0256173
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.0251928	0.724404	0.5
Loa Loa (eye worm)	hypothetical protein	0.00500199	0.12454	0.150298
Trichomonas vaginalis	Clan MA, family M8, leishmanolysin-like metallopeptidase	0.00215808	0.0400482	0.0406212
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.0251928	0.724404	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 1.5	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as fluorescence activity ratio at 0.5 uM after 10 mins by rhodamine-123 exclusion test	ChEMBL.	19733087
Activity (binding)	= 12.7	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as mean fluorescence intensity of rhodamine-123 uptake at 0.5 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 15	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as fluorescence activity ratio at 1 uM after 10 mins by rhodamine-123 exclusion test	ChEMBL.	19733087
Activity (binding)	= 42.1	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as fluorescence activity ratio at 2 uM after 10 mins by rhodamine-123 exclusion test	ChEMBL.	19733087
Activity (binding)	= 46	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as fluorescence activity ratio at 20 uM after 10 mins by rhodamine-123 exclusion test	ChEMBL.	19733087
Activity (binding)	= 130	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as mean fluorescence intensity of rhodamine-123 uptake at 1 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 206.8	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as side scatter count measured by cell size ratio at 20 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 215.3	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as side scatter count measured by cell size ratio at 0.5 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 217.8	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as side scatter count measured by cell size ratio at 1 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 365.7	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as mean fluorescence intensity of rhodamine-123 uptake at 2 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 399.5	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as mean fluorescence intensity of rhodamine-123 uptake at 20 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 456.4	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as forward scatter count measured by cell size ratio at 0.5 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 460.7	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as forward scatter count measured by cell size ratio at 1 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 468.8	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as forward scatter count measured by cell size ratio at 2 uM after 10 mins by flow cytometry	ChEMBL.	19733087
Activity (binding)	= 551.8	Reversal of human MDR1-mediated multidrug resistance in mouse L5178Y cells expressing MDR1 assessed as forward scatter count measured by cell size ratio at 20 uM after 10 mins by flow cytometry	ChEMBL.	19733087
IC50 (functional)	= 10.4 uM	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 infected in erythrocytes after 48 hrs by SYBR Green 1-based fluorescence assay	ChEMBL.	21129980
IC50 (functional)	= 11.2 uM	Antimalarial activity against chloroquine-resistant Plasmodium falciparum Dd2 infected in erythrocytes after 48 hrs by SYBR Green 1-based fluorescence assay	ChEMBL.	21129980
IC50 (functional)	= 16.7 uM	Cytotoxicity against human MCF7 cells after 24 hrs by MTT assay	ChEMBL.	21129980
ID50 (functional)	= 6.3 uM	Antiproliferative activity against mouse L5178Y cells after 72 hrs by MTT assay	ChEMBL.	19733087
ID50 (functional)	= 16.8 uM	Antiproliferative activity against multidrug resistance mouse L5178Y cells expressing human MDR1 after 72 hrs by MTT assay	ChEMBL.	19733087
Inhibition (functional)	= 27 %	Antiplasmodial activity against GFP-expressing liver stage Plasmodium berghei sporozoites infected in human Huh7 cells preincubated for 1 hr before infection at 1 uM measured after 48 hrs post infection by firefly luciferase reporter gene assay	ChEMBL.	25002232
MST (functional)	= 23 day	Antimalarial activity against Plasmodium berghei NK65 infected in BALB/c mouse assessed as mean survival time at 25 mg/kg, sc qd for 4 days (Rvb = 23 +/- 4 days)	ChEMBL.	26301556

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21129980
Plasmodium falciparum	ChEMBL23	21129980

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

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External resources for this compound

ChEMBL: CHEMBL596244

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1094141