TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 332.323 | Formula: C18H17FO5
H donors: 0 H acceptors: 0 LogP: 3.83 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C12CCCC(O2)OOC(OO1)c1ccccc1
InChi: 1S/C18H17FO5/c19-15-10-8-14(9-11-15)18-12-4-7-16(20-18)21-22-17(23-24-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16-17H,4,7,12H2
InChiKey: XROMFUCNXGYBEI-UHFFFAOYSA-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
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0243	0.0243
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0691	1	1
Leishmania major	phosphatidylinositol kinase, putative	0.0045	0.0243	0.0087
Loa Loa (eye worm)	cytochrome P450 family protein	0.0047	0.0276	0.0276
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0232	0.3068	0.2957
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0045	0.0243	0.0243
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0131	0.1543	0.1407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Entamoeba histolytica	hypothetical protein	0.0045	0.0243	0.0087
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0243	0.0087
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0413	0.5802	0.5735
Leishmania major	hypothetical protein, conserved	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0372	0.5193	0.5116
Entamoeba histolytica	hypothetical protein	0.0045	0.0243	0.0087
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.055	0.7874	0.7841
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0691	1	1
Schistosoma mansoni	hypothetical protein	0.0179	0.2272	0.2272
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0045	0.0243	0.0087
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0124	0.1442	0.9215
Entamoeba histolytica	hypothetical protein	0.0045	0.0243	0.0087
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0045	0.0243	0.0243
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0124	0.1442	0.9215
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1551	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0045	0.0243	0.0243
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0045	0.0243	0.0087
Schistosoma mansoni	aldehyde dehydrogenase	0.0131	0.1551	0.1551
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0157	0.0157
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0691	1	1
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0691	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0086	0.087	0.0724
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0243	0.0087
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0056	0.0414	0.0414
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0045	0.0243	0.0087
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0045	0.0243	0.0087
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0045	0.0243	0.0243
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0124	0.1442	0.1442
Trichomonas vaginalis	conserved hypothetical protein	0.0146	0.1768	0.1636
Loa Loa (eye worm)	phosphatidylinositol 3	0.0691	1	1
Schistosoma mansoni	hypothetical protein	0.0179	0.2272	0.2272
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0045	0.0243	0.0087
Echinococcus multilocularis	serine protein kinase ATM	0.0131	0.1543	0.1543
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0045	0.0243	0.0119
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0463	0.6566	0.6511
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0514	0.7327	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0045	0.0243	0.0243
Entamoeba histolytica	hypothetical protein	0.0131	0.1543	0.1407
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Trypanosoma cruzi	target of rapamycin kinase 3	0.055	0.7874	0.7841
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0131	0.1543	0.1407
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0045	0.0243	0.0119
Entamoeba histolytica	hypothetical protein	0.0045	0.0243	0.0087
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	0.0087
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0045	0.0243	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0124	0.1442	0.1442
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0243	0.0243
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0131	0.1551	1
Schistosoma mansoni	hypothetical protein	0.0045	0.0243	0.0243
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0045	0.0243	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0086	0.087	0.087
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0124	0.1442	0.1442
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0045	0.0243	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0086	0.087	0.0724
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0045	0.0243	0.0243
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0131	0.1543	0.1543
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0243	0.0243
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.1543	0.1543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5202	0.5125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.7866	0.7832
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0045	0.0243	0.0243
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0372	0.5193	0.5116
Echinococcus multilocularis	Zinc finger, PHD finger	0.0045	0.0243	0.0243
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0691	1	1
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0045	0.0243	0.0087
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0045	0.0243	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.1543	0.1407
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0232	0.3068	0.3068
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0131	0.1551	0.1551
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0232	0.3068	0.2957
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0045	0.0243	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	1	1
Brugia malayi	Cytochrome P450 family protein	0.0038	0.0142	0.0142
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0243	0.0087
Echinococcus multilocularis		0.0045	0.0243	0.0243
Trypanosoma cruzi	cytochrome P450, putative	0.0047	0.0276	0.012
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0045	0.0243	0.0087
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0131	0.1543	0.1407
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0146	0.1768	0.2246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.3068	0.2957
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0243	0.0243
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0243	0.0243
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0287	0.3902	0.3805
Trichomonas vaginalis	conserved hypothetical protein	0.0101	0.1095	0.0953
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0045	0.0243	0.0087
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0045	0.0243	0.0087
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0243	0.0243
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0691	1	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0157	0.0157
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0243	0.0087
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0232	0.3068	0.3068
Trypanosoma brucei	cytochrome P450, putative	0.0047	0.0276	0.012
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1543	0.1543
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0232	0.3068	0.2957
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0045	0.0243	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1095	0.1095
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.1543	0.1407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0448	0.6341	0.6282
Echinococcus multilocularis	geminin	0.0179	0.2272	0.2272
Leishmania major	hypothetical protein, unknown function	0.0045	0.0243	0.0087
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0045	0.0243	0.0243
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0045	0.0243	0.0087
Plasmodium vivax	hypothetical protein, conserved	0.0045	0.0243	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0157	0.0157
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0131	0.1543	0.1407
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0045	0.0243	0.0119
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0045	0.0243	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0185	0.2368	0.2246
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0409	0.574	0.5672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	1	1
Leishmania major	cytochrome p450-like protein	0.0047	0.0276	0.012
Loa Loa (eye worm)	cytochrome P450 family protein	0.0038	0.0142	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0141	0.1695	0.1695
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0691	1	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0232	0.3068	0.3068
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0056	0.0414	0.0414
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0157	0.5
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0039	0.0157	0.5
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0116	0.1316	0.1316
Brugia malayi	FAT domain containing protein	0.0101	0.1095	0.1095
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0045	0.0243	0.0087
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0045	0.0243	0.0087
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0327	0.4502	0.4415
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.7866	0.7832
Onchocerca volvulus		0.0045	0.0243	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.059	0.8475	0.8451
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0243	0.0243
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0045	0.0243	0.0087
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0045	0.0243	1
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0045	0.0243	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0691	1	1
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.3068	0.2957
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0243	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.7866	0.7832
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0243	0.0243
Schistosoma mansoni	aldehyde dehydrogenase	0.0131	0.1551	0.1551
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5202	0.5125
Loa Loa (eye worm)	CYP4Cod1	0.0047	0.0276	0.0276
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0232	0.3068	0.2957
Giardia lamblia	Hypothetical protein	0.0045	0.0243	0.0087
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0131	0.1543	0.1543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5202	0.5125
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0131	0.1543	0.1543
Loa Loa (eye worm)	cytochrome P450 family protein	0.0047	0.0276	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0243	0.0243
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0691	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	0.0087
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	0.0087
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1551	1
Mycobacterium leprae	conserved hypothetical protein	0.0045	0.0243	0.5
Loa Loa (eye worm)	hypothetical protein	0.0146	0.1768	0.1768
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0691	1	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0045	0.0243	0.0119
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0514	0.7327	0.7285
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0045	0.0243	0.0243
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0101	0.1095	0.1095
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0131	0.1543	0.1543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0373	0.5202	0.5125
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0124	0.1442	0.1442
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0045	0.0243	0.0243
Schistosoma mansoni	ap endonuclease	0.0039	0.0157	0.0157
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0124	0.1442	0.9215
Brugia malayi	Cytochrome P450 family protein	0.0047	0.0276	0.0276
Entamoeba histolytica	protein kinase rad3, putative	0.0131	0.1543	0.1407
Plasmodium vivax	hypothetical protein	0.0045	0.0243	1
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0045	0.0243	0.0243
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.7866	0.7832
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0243	0.0243
Echinococcus granulosus	serine protein kinase ATM	0.0131	0.1543	0.1543
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0243	0.0243
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.055	0.7874	0.7841
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0124	0.1442	0.1305
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0131	0.1543	0.1407
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0413	0.5802	0.5735
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0045	0.0243	0.0087
Onchocerca volvulus		0.0045	0.0243	1
Toxoplasma gondii	FATC domain-containing protein	0.0131	0.1543	0.1932
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0372	0.5193	0.5116
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0243	0.0243
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0131	0.1551	0.1416
Schistosoma mansoni	hypothetical protein	0.0101	0.1095	0.1095
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0047	0.0276	0.0849
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0045	0.0243	0.0087
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0045	0.0243	0.0087
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0409	0.574	0.5672
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0045	0.0243	0.0243
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0045	0.0243	0.0087
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0131	0.1551	0.1551
Trypanosoma cruzi	cytochrome P450, putative	0.0047	0.0276	0.012
Schistosoma mansoni	ap endonuclease	0.0039	0.0157	0.0157
Brugia malayi	Cytochrome P450 family protein	0.0047	0.0276	0.0276
Giardia lamblia	GTOR	0.0691	1	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0232	0.3068	0.2957
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0243	0.0243
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0045	0.0243	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.3068	0.2957
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0232	0.3068	0.3068
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0413	0.5802	0.5735
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0045	0.0243	0.0243
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0691	1	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0045	0.0243	1
Echinococcus granulosus	geminin	0.0179	0.2272	0.2272
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0101	0.1095	0.1095
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0045	0.0243	0.0243
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0157	0.0157
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0243	0.0243
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0045	0.0243	0.0087
Schistosoma mansoni	lipoxygenase	0.0056	0.0414	0.0414
Toxoplasma gondii	aldehyde dehydrogenase	0.0131	0.1551	0.1944
Loa Loa (eye worm)	phosphatidylinositol 3	0.0232	0.3068	0.3068
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.3068	0.2957
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0045	0.0243	0.0087
Trichomonas vaginalis	conserved hypothetical protein	0.0086	0.087	0.0724
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0045	0.0243	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0045	0.0243	0.0243
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0243	0.0243
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0232	0.3068	0.2957
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0131	0.1543	0.1543
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0232	0.3068	0.2957
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0691	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1551	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0549	0.7866	0.7832
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0.0243	0.0614
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0045	0.0243	0.0243

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 2.9 uM	In vitro antimalarial activity against Plasmodium falciparum using a chloroquine sensitive FCR-3 strain	ChEMBL.	10411480
EC50 (functional)	= 2.9 uM	In vitro antimalarial activity against Plasmodium falciparum using a chloroquine sensitive FCR-3 strain	ChEMBL.	10411480
EC50 (functional)	= 8.1 uM	In vitro cytotoxicity in mouse mammary tumor FM3A cells	ChEMBL.	10411480
EC50 (functional)	= 8.1 uM	In vitro cytotoxicity in mouse mammary tumor FM3A cells	ChEMBL.	10411480
Selectivity (functional)	= 4	Selectivity of the compound tested against EC50 value of FM3A /EC50 value of P. falciparum	ChEMBL.	10411480

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	10411480
Mus musculus	ChEMBL23	10411480

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL89114

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 144857