TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 376.486 | Formula: C22H32O5
H donors: 0 H acceptors: 0 LogP: 4.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CO[C@H]1O[C@@]2(C)OOC31[C@@H](CCC[C@@H]3C[C@@H]2C)CCOCc1ccccc1
InChi: 1S/C22H32O5/c1-16-14-19-11-7-10-18(12-13-24-15-17-8-5-4-6-9-17)22(19)20(23-3)25-21(16,2)26-27-22/h4-6,8-9,16,18-20H,7,10-15H2,1-3H3/t16-,18-,19+,20-,21-,22?/m0/s1
InChiKey: XCVQTZNHQAJEIO-WKQBNPRDSA-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
Giardia lamblia	DNA topoisomerase III	0.00310038	0.000885619	0.0272625
Echinococcus multilocularis	caspase 2	0.00216339	0.000117668	0.000117668
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.40958	0.334034	0.44883
Leishmania major	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Trichomonas vaginalis	conserved hypothetical protein	0.00249066	0.000385892	0.027332
Loa Loa (eye worm)	dihydrofolate reductase	0.00462365	0.00213408	0.00212467
Brugia malayi	Adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000210332
Echinococcus granulosus	WGR domain containing protein	0.00262411	0.00049527	0.00049527
Trypanosoma cruzi	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Trypanosoma brucei	DNA topoisomerase III, putative	0.00203134	0.00000943562	0.0000126783
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Plasmodium falciparum	telomerase reverse transcriptase	0.0412444	0.0321482	0.0321482
Echinococcus multilocularis	DNA topoisomerase 1	1.22214	1	1
Mycobacterium ulcerans	adenine phosphoribosyltransferase	0.00228796	0.000219766	0.0221288
Onchocerca volvulus		0.0141371	0.00993122	0.0927622
Entamoeba histolytica	DNA topoisomerase III, putative	0.00310038	0.000885619	0.198466
Brugia malayi	DNA topoisomerase III	0.00310038	0.000885619	0.000876191
Schistosoma mansoni	caspase-3 (C14 family)	0.01009	0.00661425	0.00661425
Trypanosoma brucei	Metacaspase-4	0.00216339	0.000117668	0.000158107
Plasmodium vivax	DNA topoisomerase 3, putative	0.00310038	0.000885619	0.000885619
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	0.0133442
Trypanosoma cruzi	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Trichomonas vaginalis	guanylate cyclase, putative	0.00249066	0.000385892	0.027332
Onchocerca volvulus		0.011339	0.0076379	0.0713212
Schistosoma mansoni	DNA topoisomerase type I	0.910071	0.744234	0.744234
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.00310038	0.000885619	0.00118997
Toxoplasma gondii	RNA-directed DNA polymerase	0.0412444	0.0321482	0.0321482
Plasmodium vivax	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	0.00993122
Schistosoma mansoni	uracil phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Plasmodium vivax	metacaspase 1, putative	0.00216339	0.000117668	0.000117668
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.00539426	0.00276567	0.00371613
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	0.0133442
Mycobacterium ulcerans	amidophosphoribosyltransferase	0.00228796	0.000219766	0.0221288
Loa Loa (eye worm)	hypothetical protein	0.00464136	0.0021486	0.00213918
Echinococcus granulosus	tm gpcr rhodopsin	0.029843	0.0228037	0.0228037
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.00216339	0.000117668	0.000108234
Trypanosoma brucei	metacaspase MCA2	0.00216339	0.000117668	0.000158107
Schistosoma mansoni	single-minded	0.00958361	0.00619924	0.00619924
Echinococcus granulosus	multidrug and toxin extrusion protein 2	0.00922315	0.0059038	0.0059038
Echinococcus granulosus	caspase 8	0.00216339	0.000117668	0.000117668
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0159626	0.0114274	0.0153546
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase	0.0141371	0.00993122	0.0133442
Trypanosoma brucei	Adenine phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Toxoplasma gondii	DNA topoisomerase I, putative	1.22214	1	1
Leishmania major	metacaspase, putative	0.00216339	0.000117668	0.000158107
Trypanosoma cruzi	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159626	0.0114274	0.0114274
Trypanosoma brucei	metacaspase	0.00216339	0.000117668	0.000158107
Chlamydia trachomatis	DNA topoisomerase I	0.00310038	0.000885619	0.285854
Trypanosoma brucei	membrane transporter protein, putative	0.00922315	0.0059038	0.00793273
Brugia malayi	Protein kinase domain containing protein	0.0234591	0.0175715	0.0175622
Echinococcus granulosus	adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Echinococcus multilocularis	rho GTPase activating protein 20	0.00310038	0.000885619	0.000885619
Brugia malayi	PAS domain containing protein	0.00958361	0.00619924	0.00618986
Echinococcus multilocularis	Multi antimicrobial extrusion protein MatE	0.00832257	0.00516569	0.00516569
Brugia malayi	orotate phosphoribosyltransferase family protein	0.00228796	0.000219766	0.000210332
Brugia malayi	Cell death protein 3 precursor	0.00216339	0.000117668	0.000108234
Trichomonas vaginalis	adenylate cyclase, putative	0.00249066	0.000385892	0.027332
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.00310038	0.000885619	0.0782541
Echinococcus multilocularis	thymidylate synthase	0.011339	0.0076379	0.0076379
Leishmania major	DNA topoisomerase 1A	0.00310038	0.000885619	0.00118997
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.00216339	0.000117668	0.000117668
Leishmania major	hypoxanthine-guanine phosphoribosyltransferase	0.0141371	0.00993122	0.0133442
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.00253952	0.000425938	0.000572318
Trypanosoma brucei	membrane transporter protein, putative	0.00922315	0.0059038	0.00793273
Trypanosoma cruzi	membrane transporter protein, putative	0.00922315	0.0059038	0.00793273
Mycobacterium ulcerans	putative regulatory protein	0.00709296	0.00415791	0.418671
Treponema pallidum	DNA topoisomerase I (topA)	0.00310038	0.000885619	1
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.00310038	0.000885619	1
Plasmodium vivax	hypothetical protein, conserved	0.00216339	0.000117668	0.000117668
Toxoplasma gondii	DNA topoisomerase family protein	0.00310038	0.000885619	0.000885619
Plasmodium vivax	telomerase reverse transcriptase, putative	0.0412444	0.0321482	0.0321482
Schistosoma mansoni	orotidine 5'-phosphate decarboxylase	0.00228796	0.000219766	0.000219766
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.00310038	0.000885619	0.00118997
Echinococcus granulosus	thymidylate synthase	0.011339	0.0076379	0.0076379
Echinococcus granulosus	aryl hydrocarbon receptor	0.00249066	0.000385892	0.000385892
Loa Loa (eye worm)	hypothetical protein	0.0321521	0.0246962	0.024687
Leishmania major	DNA topoisomerase IB, large subunit	0.910071	0.744234	1
Trypanosoma brucei	DNA topoisomerase type IB small subunit	0.40958	0.334034	0.44883
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.00249066	0.000385892	0.000385892
Brugia malayi	DNA topoisomerase I	1.22214	1	1
Mycobacterium ulcerans	thymidylate synthase	0.011339	0.0076379	0.76908
Leishmania major	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative	0.00228796	0.000219766	0.000295292
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.00249066	0.000385892	0.000385892
Loa Loa (eye worm)	poly(ADP-ribose) polymerase	0.00332931	0.00107325	0.00106382
Brugia malayi	Phosphoribosyl transferase domain containing protein	0.0141371	0.00993122	0.00992188
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.00249066	0.000385892	0.027332
Leishmania major	DNA topoisomerase III, putative	0.00310038	0.000885619	0.00118997
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.00249066	0.000385892	0.027332
Trichomonas vaginalis	conserved hypothetical protein	0.00249066	0.000385892	0.027332
Echinococcus multilocularis	multidrug and toxin extrusion protein 2	0.00922315	0.0059038	0.0059038
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.00249066	0.000385892	0.027332
Mycobacterium tuberculosis	Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor	0.0118491	0.00805602	1
Leishmania major	protein kinase, putative	0.00253952	0.000425938	0.000572318
Leishmania major	protein kinase, putative	0.00253952	0.000425938	0.000572318
Echinococcus granulosus	dihydrofolate reductase	0.00462365	0.00213408	0.00213408
Echinococcus granulosus	DNA topoisomerase 1	1.22214	1	1
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0234591	0.0175715	0.0175622
Brugia malayi	hypoxia-induced factor 1	0.0296615	0.0226549	0.0226457
Echinococcus multilocularis	poly (adp ribose) polymerase 2	0.00464136	0.0021486	0.0021486
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.00746437	0.00446232	0.00446232
Echinococcus granulosus	uridine 5' monophosphate synthase	0.00228796	0.000219766	0.000219766
Trypanosoma cruzi	metacaspase, putative	0.00216339	0.000117668	0.000158107
Schistosoma mansoni	caspase-7 (C14 family)	0.01009	0.00661425	0.00661425
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.00464136	0.0021486	0.002887
Plasmodium falciparum	hypoxanthine-guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.01009	0.00661425	0.00661425
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.00203134	0.00000943562	0.00000943562
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.01009	0.00661425	0.00661425
Brugia malayi	hypothetical protein	0.0321521	0.0246962	0.024687
Schistosoma mansoni	dihydrofolate reductase	0.00462365	0.00213408	0.00213408
Trypanosoma brucei	poly(adp-ribose) polymerase	0.00464136	0.0021486	0.002887
Brugia malayi	WGR domain containing protein	0.00746437	0.00446232	0.00445292
Trypanosoma cruzi	metacaspase, putative	0.00216339	0.000117668	0.000158107
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.00253952	0.000425938	0.000572318
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.00462365	0.00213408	0.24429
Leishmania major	xanthine phosphoribosyltransferase	0.0141371	0.00993122	0.0133442
Loa Loa (eye worm)	thymidylate synthase	0.011339	0.0076379	0.00762854
Plasmodium vivax	orotate phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000219766
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.00203134	0.00000943562	0.00000943562
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.00249066	0.000385892	0.027332
Trypanosoma brucei	telomerase reverse transcriptase	0.0412444	0.0321482	0.0431964
Echinococcus granulosus	caspase 2	0.00216339	0.000117668	0.000117668
Trichomonas vaginalis	conserved hypothetical protein	0.00249066	0.000385892	0.027332
Echinococcus multilocularis	transfer RNA-Lys	0.00709296	0.00415791	0.00415791
Loa Loa (eye worm)	hypothetical protein	0.0285793	0.0217679	0.0217587
Onchocerca volvulus		0.00249066	0.000385892	0.00351962
Echinococcus multilocularis	poly (ADP ribose) polymerase 1	0.00746437	0.00446232	0.00446232
Loa Loa (eye worm)	hypothetical protein	0.00249066	0.000385892	0.00037646
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.00462365	0.00213408	0.24429
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.00401489	0.00163514	0.00163514
Trypanosoma cruzi	metacaspase, putative	0.00216339	0.000117668	0.000158107
Schistosoma mansoni	caspase-7 (C14 family)	0.00216339	0.000117668	0.000117668
Loa Loa (eye worm)	DNA topoisomerase I	1.22214	1	1
Mycobacterium ulcerans	orotate phosphoribosyltransferase	0.00228796	0.000219766	0.0221288
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.00216339	0.000117668	0.000117668
Loa Loa (eye worm)	hypothetical protein	0.00544711	0.00280899	0.00279958
Echinococcus multilocularis		0.0534831	0.042179	0.042179
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.00216339	0.000117668	0.000117668
Brugia malayi	hypothetical protein	0.00539426	0.00276567	0.00275626
Entamoeba histolytica	poly(ADP-ribose) polymerase, putative	0.00746437	0.00446232	1
Echinococcus multilocularis	dihydrofolate reductase	0.00462365	0.00213408	0.00213408
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.029843	0.0228037	0.0228037
Leishmania major	telomerase reverse transcriptase, putative	0.0412444	0.0321482	0.0431964
Mycobacterium leprae	Possible regulatory protein	0.00249066	0.000385892	0.0211996
Trypanosoma cruzi	metacaspase 5, putative	0.00216339	0.000117668	0.000158107
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Mycobacterium ulcerans	hypoxanthine-guanine phosphoribosyltransferase Hpt	0.0141371	0.00993122	1
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase	0.0141371	0.00993122	0.0133442
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.00249066	0.000385892	0.000518509
Plasmodium falciparum	DNA topoisomerase 3, putative	0.00310038	0.000885619	0.000885619
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Onchocerca volvulus	Cell death protein 3 homolog	0.00216339	0.000117668	0.00101191
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.132534	0.106969	1
Echinococcus granulosus	caspase	0.01009	0.00661425	0.00661425
Toxoplasma gondii	orotate phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Plasmodium vivax	topoisomerase I, putative	1.22214	1	1
Trichomonas vaginalis	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	1
Trypanosoma cruzi	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Onchocerca volvulus	Adenine phosphoribosyltransferase homolog	0.00228796	0.000219766	0.00196645
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0412444	0.0321482	0.0431964
Mycobacterium tuberculosis	Hypothetical protein	0.00539426	0.00276567	0.324888
Echinococcus granulosus	poly ADP ribose polymerase 1	0.00746437	0.00446232	0.00446232
Leishmania major	adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000295292
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.910071	0.744234	1
Brugia malayi	dihydrofolate reductase family protein	0.00462365	0.00213408	0.00212467
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0159626	0.0114274	0.0114274
Brugia malayi	thymidylate synthase	0.011339	0.0076379	0.00762854
Schistosoma mansoni	Adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Trypanosoma cruzi	telomerase reverse transcriptase, putative	0.0412444	0.0321482	0.0431964
Trypanosoma brucei	DNA topoisomerase IA, putative	0.00310038	0.000885619	0.00118997
Trypanosoma cruzi	DNA topoisomerase III, putative	0.00203134	0.00000943562	0.0000126783
Trypanosoma cruzi	metacaspase 5, putative	0.00216339	0.000117668	0.000158107
Loa Loa (eye worm)	adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000210332
Mycobacterium ulcerans	hypothetical protein	0.00228796	0.000219766	0.0221288
Schistosoma mansoni	multidrug resistance protein	0.00922315	0.0059038	0.0059038
Plasmodium falciparum	topoisomerase I	1.22214	1	1
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.00310038	0.000885619	0.000885619
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.00310038	0.000885619	0.0782541
Plasmodium falciparum	orotate phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.00249066	0.000385892	0.00037646
Loa Loa (eye worm)	DNA topoisomerase III	0.00310038	0.000885619	0.000876191
Echinococcus multilocularis	aryl hydrocarbon receptor	0.00249066	0.000385892	0.000385892
Trypanosoma brucei	MATE efflux family protein, putative	0.00922315	0.0059038	0.00793273
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.011339	0.0076379	0.0076379
Trichomonas vaginalis	ribose-phosphate pyrophosphokinase, putative	0.00228796	0.000219766	0.0104038
Mycobacterium leprae	Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho	0.0118491	0.00805602	1
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Trypanosoma cruzi	metacaspase, putative	0.00216339	0.000117668	0.000158107
Trichomonas vaginalis	Ribose-phosphate pyrophosphokinase, putative	0.00228796	0.000219766	0.0104038
Entamoeba histolytica	DNA topoisomerase III, putative	0.00203134	0.00000943562	0.00211451
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.910071	0.744234	1
Echinococcus multilocularis	hypoxanthine guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Schistosoma mansoni	poly [ADP-ribose] polymerase	0.00464136	0.0021486	0.0021486
Echinococcus multilocularis	caspase	0.01009	0.00661425	0.00661425
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Giardia lamblia	Guanine phosphoribosyltransferase	0.0141371	0.00993122	0.308717
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.00253952	0.000425938	0.000572318
Echinococcus granulosus	poly adp ribose polymerase 2	0.00464136	0.0021486	0.0021486
Trypanosoma cruzi	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Echinococcus multilocularis	caspase 3	0.00792659	0.00484115	0.00484115
Brugia malayi	Dihydrofolate reductase	0.00462365	0.00213408	0.00212467
Trypanosoma brucei	Adenine phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Trypanosoma brucei	membrane transporter protein, putative	0.00922315	0.0059038	0.00793273
Brugia malayi	bHLH-PAS transcription factor	0.00709296	0.00415791	0.00414851
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.00216339	0.000117668	0.000117668
Trypanosoma cruzi	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Trypanosoma brucei	metacaspase 5, putative	0.00216339	0.000117668	0.000158107
Echinococcus granulosus	poly (ADP ribose) polymerase	0.00262411	0.00049527	0.00049527
Loa Loa (eye worm)	hypothetical protein	0.00216339	0.000117668	0.000108234
Leishmania major	DNA topoisomerase III, putative	0.00203134	0.00000943562	0.0000126783
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.00249066	0.000385892	0.027332
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.00249066	0.000385892	0.000518509
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0296615	0.0226549	0.0226457
Echinococcus multilocularis	adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Giardia lamblia	Telomerase catalytic subunit	0.0412444	0.0321482	1
Toxoplasma gondii	poly(ADP-ribose) polymerase catalytic domain-containing protein	0.00769414	0.00465063	0.00465063
Echinococcus multilocularis	caspase 8	0.00216339	0.000117668	0.000117668
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.00310038	0.000885619	0.000885619
Schistosoma mansoni	aryl hydrocarbon receptor	0.00958361	0.00619924	0.00619924
Loa Loa (eye worm)	hypothetical protein	0.00216339	0.000117668	0.000108234
Giardia lamblia	Adenine phosphoribosyltransferase	0.00228796	0.000219766	0.00654444
Echinococcus granulosus	hypoxanthine guanine phosphoribosyltransferase	0.0141371	0.00993122	0.00993122
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0159626	0.0114274	0.0153546
Leishmania major	DNA topoisomerase type IB small subunit	0.40958	0.334034	0.44883
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.00253952	0.000425938	0.000572318
Echinococcus granulosus	caspase 3	0.00792659	0.00484115	0.00484115
Toxoplasma gondii	hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT	0.0141371	0.00993122	0.00993122
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.00310038	0.000885619	0.0849708
Plasmodium falciparum	metacaspase 1	0.00216339	0.000117668	0.000117668
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.011339	0.0076379	0.946643
Schistosoma mansoni	DNA topoisomerase type I	1.22214	1	1
Brugia malayi	Telomerase reverse transcriptase	0.0912897	0.0731651	0.0731563
Trypanosoma cruzi	DNA topoisomerase III, putative	0.00310038	0.000885619	0.00118997
Schistosoma mansoni	DNA topoisomerase type I	0.910071	0.744234	0.744234
Echinococcus multilocularis	uridine 5' monophosphate synthase	0.00228796	0.000219766	0.000219766
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0159626	0.0114274	0.0114274
Mycobacterium ulcerans	bifunctional pyrimidine regulatory protein PyrR/uracil phosphoribosyltransferase	0.00228796	0.000219766	0.0221288
Trypanosoma brucei	orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	0.0133442
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.00203134	0.00000943562	0.00000943562
Trypanosoma cruzi	poly(ADP-ribose) polymerase, putative	0.00464136	0.0021486	0.002887
Trypanosoma brucei	DNA topoisomerase III, putative	0.00310038	0.000885619	0.00118997
Loa Loa (eye worm)	orotate phosphoribosyltransferase	0.00228796	0.000219766	0.000210332
Trichomonas vaginalis	guanylate cyclase, putative	0.00249066	0.000385892	0.027332
Echinococcus granulosus	single minded 2	0.00709296	0.00415791	0.00415791
Mycobacterium ulcerans	DNA topoisomerase I	0.00310038	0.000885619	0.0891752
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.00462365	0.00213408	0.214886
Trypanosoma brucei	metacaspase MCA3	0.00216339	0.000117668	0.000158107
Chlamydia trachomatis	dihydrofolate reductase	0.00462365	0.00213408	1
Trypanosoma cruzi	Adenine phosphoribosyltransferase, putative	0.00228796	0.000219766	0.000295292
Trypanosoma brucei	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	0.0133442
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.011339	0.0076379	0.946643
Trypanosoma cruzi	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Leishmania major	hypothetical protein, conserved	0.00922315	0.0059038	0.00793273
Plasmodium falciparum	metacaspase-like protein	0.00216339	0.000117668	0.000117668
Trypanosoma cruzi	hypoxanthine-guanine phosphoribosyltransferase, putative	0.0141371	0.00993122	0.0133442
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Trichomonas vaginalis	conserved hypothetical protein	0.00539426	0.00276567	0.269831
Onchocerca volvulus		0.00709296	0.00415791	0.0387855
Brugia malayi	WGR domain containing protein	0.00464136	0.0021486	0.00213918
Schistosoma mansoni	hypoxanthine-guanine phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Schistosoma mansoni	serine/threonine protein kinase	0.0234591	0.0175715	0.0175715
Schistosoma mansoni	Adenine phosphoribosyltransferase	0.00228796	0.000219766	0.000219766
Trypanosoma cruzi	DNA topoisomerase III, putative	0.00310038	0.000885619	0.00118997
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0159626	0.0114274	0.0153546
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.00249066	0.000385892	0.000518509
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.00203134	0.00000943562	0.00000943562

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 11 nM	In vitro antimalarial activity against chloroquine sensitive P. falciparum (NF54).	ChEMBL.	9526569
IC50 (functional)	= 11 nM	In vitro antimalarial activity against chloroquine sensitive P. falciparum (NF54).	ChEMBL.	9526569

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23	9526569

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 306800