TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.391 | Formula: C19H23NO3
H donors: 1 H acceptors: 2 LogP: 2.53 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc(cc1)C#C[C@H]1CN2CCC1C[C@@H]2CO
InChi: 1S/C19H23NO3/c1-2-23-19(22)15-6-3-14(4-7-15)5-8-17-12-20-10-9-16(17)11-18(20)13-21/h3-4,6-7,16-18,21H,2,9-13H2,1H3/t16?,17-,18+/m0/s1
InChiKey: GEZQBWZWZWILMT-UQJFVLDMSA-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

Species	Target name	Source	Bibliographic reference
Leishmania major	squalene synthase, putative	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma cruzi	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma congolense	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma cruzi	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma congolense	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania braziliensis	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania major	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma congolense	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania infantum	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Candida albicans	squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania donovani	farnesyltransferase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma brucei gambiense	farnesyltransferase, putative,squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Candida albicans	squalene synthase similar to S. cerevisiae ERG9 (YHR190W) involved in ergosterol biosynthesis	Get druggable targets OG5_129470	All targets in OG5_129470
Trypanosoma brucei	squalene synthase, putative	Get druggable targets OG5_129470	All targets in OG5_129470
Leishmania mexicana	farnesyltransferase, putative	Get druggable targets OG5_129470	All targets in OG5_129470

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
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0124202	0.339434	0.306463
Brugia malayi	Serotonin receptor	0.0200839	0.63479	1
Echinococcus granulosus	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Brugia malayi	Ras-related protein R-Ras2	0.00787361	0.164213	0.258689
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0200839	0.63479	1
Schistosoma mansoni	DNA topoisomerase type I	0.0144407	0.417307	0.609473
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Trichomonas vaginalis	CMGC family protein kinase	0.00563378	0.077892	0.182155
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0200839	0.63479	1
Echinococcus granulosus	somatostatin receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.00563378	0.077892	0.060095
Brugia malayi	intracellular kinase	0.00563378	0.077892	0.122705
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Loa Loa (eye worm)	hypothetical protein	0.00829788	0.180565	0.233381
Echinococcus granulosus	g protein coupled receptor	0.0200839	0.63479	1
Leishmania major	DNA topoisomerase IB, large subunit	0.0144407	0.417307	0.388222
Schistosoma mansoni	amine GPCR	0.0200839	0.63479	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.00470988	0.0422854	0.070813
Echinococcus granulosus	7TM GPCR rhodopsin	0.0200839	0.63479	1
Trichomonas vaginalis	ral, putative	0.00787361	0.164213	0.452083
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0200839	0.63479	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0200839	0.63479	1
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0200839	0.63479	1
Brugia malayi	Nucleoside transporter family protein	0.00470988	0.0422854	0.0666131
Onchocerca volvulus		0.0200839	0.63479	1
Giardia lamblia	Kinase, CMGC GSK	0.00563378	0.077892	0.119828
Entamoeba histolytica	Ras family GTPase	0.00787361	0.164213	0.410326
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0200839	0.63479	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.00470988	0.0422854	0.0666131
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Echinococcus granulosus	g protein coupled receptor	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	0.339434
Echinococcus multilocularis	Squalene phytoene synthase	0.00872687	0.197097	0.261284
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Entamoeba histolytica	protein kinase domain containing protein	0.00563378	0.077892	0.119828
Schistosoma mansoni	amine GPCR	0.0200839	0.63479	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Trypanosoma brucei	DNA topoisomerase IB, large subunit	0.0144407	0.417307	0.388222
Trypanosoma cruzi	squalene synthase, putative	0.0295602	1	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0200839	0.63479	1
Echinococcus granulosus	neuropeptide receptor	0.0200839	0.63479	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0124202	0.339434	0.306463
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0200839	0.63479	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0124202	0.339434	0.497053
Loa Loa (eye worm)	hypothetical protein	0.00787361	0.164213	0.205784
Echinococcus granulosus	tm gpcr rhodopsin	0.0200839	0.63479	1
Echinococcus multilocularis	fmrfamide receptor	0.0200839	0.63479	1
Entamoeba histolytica	Ras family GTPase	0.00787361	0.164213	0.410326
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	0.339434
Brugia malayi	larval opioid receptor	0.0200839	0.63479	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0200839	0.63479	1
Echinococcus multilocularis	orexin receptor type 2	0.0200839	0.63479	1
Giardia lamblia	Kinase, CMGC GSK	0.00563378	0.077892	0.119828
Brugia malayi	neuropeptide F receptor	0.0200839	0.63479	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0200839	0.63479	1
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0124202	0.339434	0.534719
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0124202	0.339434	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus granulosus	ras gtpase	0.00787361	0.164213	0.205784
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Trypanosoma brucei	glyceraldehyde-3-phosphate dehydrogenase, putative	0.00773495	0.15887	0.116885
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0200839	0.63479	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0124202	0.339434	0.501513
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Echinococcus granulosus	Squalene phytoene synthase	0.00872687	0.197097	0.261284
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Trypanosoma cruzi	phytoene synthase, putative	0.00872687	0.197097	0.197097
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0200839	0.63479	1
Brugia malayi	Melatonin receptor type 1A	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.00773495	0.15887	0.15887
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0124202	0.339434	0.306463
Entamoeba histolytica	ras-1, putative	0.00787361	0.164213	0.410326
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Brugia malayi	neuropeptide F receptor	0.0200839	0.63479	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0124202	0.339434	0.469641
Onchocerca volvulus		0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide receptor	0.0200839	0.63479	1
Schistosoma mansoni	neuropeptide receptor	0.0200839	0.63479	1
Echinococcus multilocularis	g protein coupled receptor	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0200839	0.63479	1
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0124202	0.339434	1
Schistosoma mansoni	opsin-like receptor	0.0200839	0.63479	1
Echinococcus granulosus	neuropeptides capa receptor	0.0200839	0.63479	1
Brugia malayi	Serotonin receptor	0.0200839	0.63479	1
Schistosoma mansoni	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Schistosoma mansoni	hypothetical protein	0.00872687	0.197097	0.214053
Onchocerca volvulus		0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0200839	0.63479	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.00470988	0.0422854	0.070813
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.00829788	0.180565	0.233381
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0200839	0.63479	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0200839	0.63479	1
Echinococcus granulosus	neuropeptide Y receptor	0.0200839	0.63479	1
Schistosoma mansoni	opsin-like receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Leishmania major	glyceraldehyde-3-phosphate dehydrogenase-like protein	0.00773495	0.15887	0.116885
Mycobacterium tuberculosis	Probable phytoene synthase PhyA	0.00872687	0.197097	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.00563378	0.077892	0.0318657
Schistosoma mansoni	neuropeptide receptor	0.0200839	0.63479	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0200839	0.63479	1
Brugia malayi	Dopamine receptor protein 2	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0200839	0.63479	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.00470988	0.0422854	0.070813
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0124202	0.339434	0.5
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0124202	0.339434	0.501513
Echinococcus granulosus	neuropeptide receptor	0.0200839	0.63479	1
Schistosoma mansoni	adenoreceptor	0.0200839	0.63479	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0124202	0.339434	0.339434
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0200839	0.63479	1
Echinococcus granulosus	DNA topoisomerase 1	0.019287	0.604078	0.948165
Echinococcus multilocularis	somatostatin receptor	0.0200839	0.63479	1
Brugia malayi	Dopamine receptor	0.0200839	0.63479	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.00563378	0.077892	0.060095
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.00563378	0.077892	0.060095
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Schistosoma mansoni	DNA topoisomerase type I	0.019287	0.604078	0.944851
Schistosoma mansoni	biogenic amine receptor	0.0200839	0.63479	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0124202	0.339434	0.501513
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0124202	0.339434	0.339434
Plasmodium vivax	topoisomerase I, putative	0.019287	0.604078	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Toxoplasma gondii	DNA topoisomerase I, putative	0.019287	0.604078	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0200839	0.63479	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0200839	0.63479	1
Echinococcus granulosus	protein kinase shaggy	0.00563378	0.077892	0.060095
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0200839	0.63479	1
Echinococcus granulosus	g protein coupled receptor	0.0200839	0.63479	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.00773495	0.15887	0.15887
Echinococcus granulosus	g-protein coupled receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus granulosus	fmrfamide receptor	0.0200839	0.63479	1
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.00773495	0.15887	0.392343
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0200839	0.63479	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0124202	0.339434	0.469641
Loa Loa (eye worm)	DNA topoisomerase I	0.019287	0.604078	0.948165
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0200839	0.63479	1
Echinococcus multilocularis	g-protein coupled receptor	0.0200839	0.63479	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0124202	0.339434	0.497053
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	serotonin receptor	0.0200839	0.63479	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0124202	0.339434	0.469641
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0124202	0.339434	0.501513
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.00829788	0.180565	0.503213
Schistosoma mansoni	neuropeptide F-like receptor	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0200839	0.63479	1
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0046852	0.0413346	0.5
Trypanosoma brucei	protein kinase, putative	0.00563378	0.077892	0.0318657
Echinococcus granulosus	orexin receptor type 2	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0124202	0.339434	0.339434
Schistosoma mansoni	biogenic amine receptor	0.0200839	0.63479	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Schistosoma mansoni	histamine h1 receptor	0.0200839	0.63479	1
Schistosoma mansoni	opsin-like receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	sex peptide receptor	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Leishmania major	hypothetical protein, conserved	0.00872687	0.197097	0.157021
Brugia malayi	sulfakinin receptor protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Echinococcus multilocularis	ras gtpase	0.00787361	0.164213	0.205784
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0200839	0.63479	1
Echinococcus granulosus	serotonin receptor	0.0200839	0.63479	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.0200839	0.63479	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0200839	0.63479	1
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0124202	0.339434	0.5
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.00563378	0.077892	0.077892
Onchocerca volvulus		0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Echinococcus multilocularis	fmrfamide receptor	0.0200839	0.63479	1
Schistosoma mansoni	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	myosin xvIII	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Brugia malayi	G-protein coupled receptor	0.0200839	0.63479	1
Echinococcus granulosus	G protein coupled receptor 139	0.0200839	0.63479	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0200839	0.63479	1
Trichomonas vaginalis	ras-dva small GTPase, putative	0.00787361	0.164213	0.452083
Loa Loa (eye worm)	melatonin receptor type 1A	0.0200839	0.63479	1
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.00872687	0.197097	0.261284
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Trypanosoma cruzi	DNA topoisomerase type IB small subunit, putative	0.00484625	0.0475412	0.0475412
Brugia malayi	putative neuropeptide receptor NPR1	0.0200839	0.63479	1
Echinococcus granulosus	7tm_1 domain containing protein	0.0200839	0.63479	1
Brugia malayi	Dopamine receptor protein 1	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0200839	0.63479	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0200839	0.63479	1
Trypanosoma cruzi	DNA topoisomerase IB, large subunit, putative	0.0144407	0.417307	0.417307
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.00829788	0.180565	0.503213
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.00829788	0.180565	0.233381
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0124202	0.339434	1
Echinococcus granulosus	neuropeptides capa receptor	0.0200839	0.63479	1
Echinococcus multilocularis	protein kinase shaggy	0.00563378	0.077892	0.060095
Schistosoma mansoni	neuropeptide receptor	0.0200839	0.63479	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.00880748	0.200204	0.266528
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0200839	0.63479	1
Brugia malayi	DNA topoisomerase I	0.019287	0.604078	0.951618
Brugia malayi	RE15519p	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	0.339434
Schistosoma mansoni	neuropeptide receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	serotonin receptor	0.0200839	0.63479	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Trypanosoma cruzi	squalene synthase, putative	0.0295602	1	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0200839	0.63479	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0200839	0.63479	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0200839	0.63479	1
Trichomonas vaginalis	rap1 and, putative	0.00787361	0.164213	0.452083
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Plasmodium falciparum	topoisomerase I	0.019287	0.604078	1
Trichomonas vaginalis	rheb, putative	0.00787361	0.164213	0.452083
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Trichomonas vaginalis	GTP-binding protein rit, putative	0.00787361	0.164213	0.452083
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0124202	0.339434	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0200839	0.63479	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Trichomonas vaginalis	equilibrative nucleoside transporter, putative	0.00470988	0.0422854	0.070813
Echinococcus multilocularis	g protein coupled receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Entamoeba histolytica	protein kinase domain containing protein	0.00563378	0.077892	0.119828
Brugia malayi	putative neuropeptide receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	DNA topoisomerase type I	0.0144407	0.417307	0.609473
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0200839	0.63479	1
Onchocerca volvulus		0.00563378	0.077892	0.060095
Trypanosoma brucei	squalene synthase, putative	0.0295602	1	1
Onchocerca volvulus		0.0200839	0.63479	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Echinococcus multilocularis	g protein coupled receptor	0.0200839	0.63479	1
Echinococcus multilocularis	G protein coupled receptor 139	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Brugia malayi	G-protein coupled receptor	0.0200839	0.63479	1
Brugia malayi	ORL1-like opioid receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0200839	0.63479	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0200839	0.63479	1
Schistosoma mansoni	biogenic amine receptor	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0200839	0.63479	1
Leishmania major	squalene synthase, putative	0.0295602	1	1
Echinococcus granulosus	neuropeptide receptor A26	0.0200839	0.63479	1
Schistosoma mansoni	hypothetical protein	0.0200839	0.63479	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0124202	0.339434	0.306463
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0124202	0.339434	0.339434
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	Ras protein let-60	0.00787361	0.164213	0.205784
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.00880748	0.200204	0.266528
Trichomonas vaginalis	CMGC family protein kinase	0.00563378	0.077892	0.182155
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	amine GPCR	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0200839	0.63479	1
Brugia malayi	follicle stimulating hormone receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	amine GPCR	0.0200839	0.63479	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0124202	0.339434	0.469641
Echinococcus granulosus	allatostatin A receptor	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0200839	0.63479	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0200839	0.63479	1
Echinococcus multilocularis	allatostatin A receptor	0.0200839	0.63479	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.00829788	0.180565	0.233381
Loa Loa (eye worm)	hypothetical protein	0.00872687	0.197097	0.261284
Echinococcus granulosus	biogenic amine 5HT receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0124202	0.339434	0.497053
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.00563378	0.077892	0.060095
Brugia malayi	G protein-coupled receptor F59B2.13	0.0200839	0.63479	1
Echinococcus multilocularis	neuropeptide s receptor	0.0200839	0.63479	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0124202	0.339434	0.306463
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.00412228	0.0196397	0.0309389
Brugia malayi	Ras protein let-60	0.00787361	0.164213	0.258689
Schistosoma mansoni	amine GPCR	0.0200839	0.63479	1
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0124202	0.339434	0.497053
Echinococcus multilocularis	DNA topoisomerase 1	0.019287	0.604078	0.948165
Brugia malayi	GnHR receptor homolog	0.0200839	0.63479	1
Trichomonas vaginalis	dexras1, putative	0.00787361	0.164213	0.452083
Brugia malayi	G protein-coupled receptor	0.0200839	0.63479	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.00829788	0.180565	0.233381
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0200839	0.63479	1
Brugia malayi	AKH receptor	0.0200839	0.63479	1
Brugia malayi	hypothetical protein	0.0200839	0.63479	1
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0200839	0.63479	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0200839	0.63479	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0200839	0.63479	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0200839	0.63479	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0200839	0.63479	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Onchocerca volvulus		0.0200839	0.63479	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0200839	0.63479	1
Entamoeba histolytica	protein kinase, putative	0.00563378	0.077892	0.119828
Schistosoma mansoni	hypothetical protein	0.0200839	0.63479	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0200839	0.63479	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0200839	0.63479	1
Echinococcus granulosus	neuropeptide Y receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0200839	0.63479	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0200839	0.63479	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0200839	0.63479	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	TYRA-2 protein	0.0200839	0.63479	1
Echinococcus granulosus	neuropeptide s receptor	0.0200839	0.63479	1
Echinococcus granulosus	sex peptide receptor	0.0200839	0.63479	1
Loa Loa (eye worm)	hypothetical protein	0.0200839	0.63479	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of human recombinant squalene synthase expressed in Escherichia coli BL21(DE3 pLysS) by liquid scintillation counter	ChEMBL.	17709461
IC50 (binding)	> 1 uM	Inhibition of Leishmania major recombinant squalene synthase expressed in Escherichia coli by liquid scintillation counter	ChEMBL.	17709461
IC50 (functional)	= 1.1 uM	Antiplasmodial activity after 48 hrs against chloroquine and pyrimethamine-resistant Plasmodium falciparum K1 in human erythrocytes by [3H]hypoxanthine uptake	ChEMBL.	17709461
IC50 (functional)	= 3.8 uM	Trypanocidal activity against Trypanosoma brucei rhodesiense STIB 900 bloodstream form after 72 hrs by resazurin assay	ChEMBL.	17709461
IC50 (functional)	= 18.8 uM	Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Tulahuen C2C4 containing lacZ gene in rat L6 cells after 4 days by chlorophenol red-beta-D-galactopyranoside/Nonidet assay	ChEMBL.	17709461
IC50 (functional)	> 96 uM	Antileishmanial activity against Leishmania donovani MHOM/ET/67/L82 axenic amastigotes after 72 hrs by resazurin assay	ChEMBL.	17709461

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference
Plasmodium falciparum		17709461
Trypanosoma cruzi	ChEMBL23	17709461
Trypanosoma brucei gambiense		17709461

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: CHEMBL477492

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 977630