TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.524 | Formula: C25H22FN3O2S
H donors: 1 H acceptors: 4 LogP: 2.55 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C1CN(C1)Cc1ccc(c(c1)F)c1nc2c(s1)nc(cc2)[C@H](c1ccccc1)C
InChi: 1S/C25H22FN3O2S/c1-15(17-5-3-2-4-6-17)21-9-10-22-24(27-21)32-23(28-22)19-8-7-16(11-20(19)26)12-29-13-18(14-29)25(30)31/h2-11,15,18H,12-14H2,1H3,(H,30,31)/t15-/m0/s1
InChiKey: CXOPPLGMWBBMQK-HNNXBMFYSA-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
Homo sapiens	sphingosine-1-phosphate receptor 1	Starlite/ChEMBL	References
Homo sapiens	sphingosine-1-phosphate receptor 3	Starlite/ChEMBL	References

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
Schistosoma mansoni	tyrosine kinase	0.0063	0.1414	0.14
Schistosoma mansoni	growth hormone secretagogue receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	neuropeptide receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	RUN	0.0039	0.0818	0.0804
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0008	0.0041	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Toxoplasma gondii	BRCA1 C Terminus (BRCT) domain-containing protein	0.0011	0.0114	0.016
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	histamine h1 receptor	0.0008	0.0041	0.0025
Onchocerca volvulus		0.0083	0.1904	0.7552
Schistosoma mansoni	tyrosine kinase	0.0141	0.3364	0.3354
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0008	0.0041	0.0025
Echinococcus granulosus	sex peptide receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0818	0.0804
Schistosoma mansoni	cpg binding protein	0.003	0.0593	0.0578
Echinococcus granulosus	RUN	0.0039	0.0818	0.0804
Plasmodium vivax	multidomain scavenger receptor, putative	0.0039	0.0818	0.1827
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0818	0.2339
Echinococcus granulosus	neuropeptides capa receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	G protein coupled receptor 139	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0859	0.22
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0057	0.005
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	amine GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	neuropeptide F-like receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Echinococcus granulosus	fmrfamide receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	blooms syndrome DNA helicase	0.0017	0.0257	0.0242
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0008	0.0041	0.0025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Echinococcus granulosus	7TM GPCR rhodopsin	0.0008	0.0041	0.0025
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0362	1
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0419	0.1023
Echinococcus granulosus	dna polymerase kappa	0.0041	0.0859	0.0844
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0362	0.0691
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0818	0.0804
Trichomonas vaginalis	DNA helicase recq1, putative	0.0021	0.0368	0.3325
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0059	0.0056
Echinococcus multilocularis	fmrfamide receptor	0.0008	0.0041	0.0025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0029	0.0552	0.1538
Echinococcus multilocularis	epidermal growth factor receptor	0.0064	0.1442	0.1429
Echinococcus granulosus	neuropeptide receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0008	0.0041	0.0025
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0859	0.2103
Echinococcus granulosus	hypothetical protein	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0261	0.0664
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0419	0.0949
Brugia malayi	ImpB/MucB/SamB family protein	0.0014	0.0198	0.0474
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0008	0.0041	0.0025
Echinococcus multilocularis	neuropeptide Y receptor	0.0008	0.0041	0.0025
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0151	0.3596	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Schistosoma mansoni	DNA polymerase eta	0.0014	0.0198	0.0183
Schistosoma mansoni	tyrosine kinase	0.0064	0.1442	0.1429
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.1904	0.5606
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0008	0.0041	0.0025
Echinococcus granulosus	epidermal growth factor receptor	0.0064	0.1442	0.1429
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0611	0.1494
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0014	0.0198	0.0183
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0419	0.1664
Brugia malayi	hypothetical protein	0.0051	0.1108	0.3212
Schistosoma mansoni	rab6-interacting	0.0039	0.0818	0.0804
Echinococcus multilocularis	serotonin receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	dihydrofolate reductase	0.0044	0.0927	0.0913
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Echinococcus multilocularis	g protein coupled receptor	0.0008	0.0041	0.0025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Schistosoma mansoni	rab6-interacting	0.0039	0.0818	0.0804
Trypanosoma brucei	DNA polymerase kappa, putative	0.0031	0.0611	0.1494
Trypanosoma brucei	DNA polymerase IV, putative	0.0041	0.0859	0.22
Schistosoma mansoni	myosin xvIII	0.0008	0.0041	0.0025
Mycobacterium ulcerans	DNA polymerase IV	0.0041	0.0859	0.2103
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.1108	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0039	0.0818	0.0804
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0141	0.3364	0.3354
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	epidermal growth factor receptor	0.0064	0.1442	0.1429
Schistosoma mansoni	neuropeptide receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0151	0.3596	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0008	0.0041	0.0025
Schistosoma mansoni	dihydrofolate reductase	0.0044	0.0927	0.0913
Schistosoma mansoni	opsin-like receptor	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0083	0.1904	0.5606
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0017	0.025	0.0467
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	hypothetical protein	0.0008	0.0041	0.0025
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0014	0.0193	0.0382
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0.0419	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	tyrosine kinase	0.0063	0.1414	0.14
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0611	0.1715
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	tyrosine kinase	0.0064	0.1442	0.1429
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0008	0.0041	0.0025
Echinococcus multilocularis	dna polymerase eta	0.0014	0.0198	0.0183
Onchocerca volvulus		0.0029	0.0552	0.2072
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0009	0.0057	0.0042
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0008	0.0041	0.0025
Loa Loa (eye worm)	TK/INSR protein kinase	0.0141	0.3364	1
Mycobacterium ulcerans	thymidylate synthase	0.0107	0.2508	1
Echinococcus multilocularis	dro:myosuppressin receptor	0.0008	0.0041	0.0025
Trichomonas vaginalis	DNA polymerase eta, putative	0.0041	0.0859	0.7747
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0107	0.2508	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Schistosoma mansoni	hypothetical protein	0.0008	0.0041	0.0025
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0014	0.0198	0.0183
Schistosoma mansoni	amine GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	neuropeptide f receptor 76f	0.0008	0.0041	0.0025
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0014	0.0198	0.0183
Echinococcus multilocularis	g protein coupled receptor	0.0008	0.0041	0.0025
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0014	0.0198	0.2565
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	neuropeptide receptor A26	0.0008	0.0041	0.0025
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0.0419	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	neuropeptide Y receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	thymidylate synthase	0.0107	0.2508	0.2496
Schistosoma mansoni	lipoxygenase	0.0172	0.414	0.4131
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0141	0.3364	0.3354
Brugia malayi	CXXC zinc finger family protein	0.0029	0.0552	0.1538
Onchocerca volvulus		0.0039	0.0818	0.3151
Schistosoma mansoni	cpg binding protein	0.003	0.0593	0.0578
Echinococcus granulosus	biogenic amine 5HT receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	opsin-like receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	tm gpcr rhodopsin	0.0008	0.0041	0.0025
Echinococcus granulosus	Polycystic kidney disease protein	0.0039	0.0818	0.0804
Echinococcus granulosus	g-protein coupled receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	hypothetical protein	0.0008	0.0041	0.0025
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Brugia malayi	Protein kinase domain containing protein	0.0078	0.1789	0.526
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	bloom syndrome protein	0.0021	0.0368	0.0353
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	biogenic amine 5HT receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	amine GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0008	0.0041	0.0025
Brugia malayi	Furin-like cysteine rich region family protein	0.0064	0.1442	0.4217
Onchocerca volvulus		0.0107	0.2508	1
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0009	0.0057	0.0042
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.0019	0.0304	0.0698
Echinococcus granulosus	cpg binding protein	0.003	0.0593	0.0578
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0172	0.414	0.4131
Mycobacterium tuberculosis	Hypothetical protein	0.0051	0.1108	0.4414
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0151	0.3596	1
Onchocerca volvulus		0.0039	0.0818	0.3151
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0041	0.0859	0.7747
Trypanosoma cruzi	DNA polymerase eta, putative	0.0014	0.0198	0.022
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0419	0.0654
Schistosoma mansoni	hypothetical protein	0.0052	0.1123	0.1109
Echinococcus multilocularis		0.0018	0.0299	0.0284
Echinococcus granulosus	neuropeptide receptor	0.0008	0.0041	0.0025
Entamoeba histolytica	hypothetical protein	0.0023	0.0419	1
Schistosoma mansoni	neuropeptide receptor	0.0008	0.0041	0.0025
Brugia malayi	polk-prov protein	0.0031	0.0611	0.1715
Schistosoma mansoni	neuropeptide receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0198	0.0474
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0008	0.0041	0.0025
Echinococcus granulosus	7tm_1 domain containing protein	0.0008	0.0041	0.0025
Schistosoma mansoni	tyrosine kinase	0.0064	0.1442	0.1429
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0172	0.414	0.4131
Schistosoma mansoni	adenoreceptor	0.0008	0.0041	0.0025
Trypanosoma brucei	unspecified product	0.0034	0.0695	0.1733
Echinococcus granulosus	dna polymerase eta	0.0014	0.0198	0.0183
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0362	0.1435
Echinococcus multilocularis	neuropeptides capa receptor	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0077	0.176	0.5174
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0151	0.3596	1
Brugia malayi	Doublecortin family protein	0.0039	0.0818	0.2339
Schistosoma mansoni	lipoxygenase	0.0102	0.2377	0.2365
Echinococcus multilocularis	g-protein coupled receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	neuropeptide F-like receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0059	0.0044
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus multilocularis	neuropeptide receptor	0.0008	0.0041	0.0025
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0057	0.005
Echinococcus multilocularis	sex peptide receptor	0.0008	0.0041	0.0025
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0859	0.2121
Schistosoma mansoni	amine GPCR	0.0008	0.0041	0.0025
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.1904	0.1891
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0039	0.0818	0.0804
Echinococcus multilocularis	bloom syndrome protein	0.0021	0.0368	0.0353
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0107	0.2508	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0008	0.0041	0.0025
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.1904	0.1891
Trichomonas vaginalis	DNA helicase recq, putative	0.0021	0.0368	0.3325
Chlamydia trachomatis	dihydrofolate reductase	0.0044	0.0927	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	hypothetical protein	0.0039	0.0818	0.0804
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0044	0.0927	0.369
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0008	0.0041	0.0025
Schistosoma mansoni	loxhd1	0.0039	0.0818	0.0804
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0017	0.025	0.0467
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0064	0.1442	0.1429
Echinococcus multilocularis	neuropeptide Y receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	neuropeptides capa receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	G protein coupled receptor 139	0.0008	0.0041	0.0025
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0008	0.0041	0.0025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Echinococcus multilocularis	allatostatin A receptor	0.0008	0.0041	0.0025
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0419	0.1023
Echinococcus granulosus	dro:myosuppressin receptor	0.0008	0.0041	0.0025
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0011	0.0122	0.01
Echinococcus granulosus	tm gpcr rhodopsin	0.0008	0.0041	0.0025
Echinococcus multilocularis	neuropeptide receptor	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0859	0.2121
Schistosoma mansoni	biogenic amine receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	cpg binding protein	0.0029	0.0552	0.0537
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0419	0.0857
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0044	0.0927	0.243
Echinococcus multilocularis	fmrfamide receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	tyrosine kinase	0.0141	0.3364	0.3354
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0009	0.0057	0.005
Trichomonas vaginalis	DNA helicase recq, putative	0.0011	0.0122	0.1097
Echinococcus multilocularis	epidermal growth factor receptor	0.0064	0.1442	0.1429
Schistosoma mansoni	biogenic amine receptor	0.0008	0.0041	0.0025
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0151	0.3596	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Loa Loa (eye worm)	thymidylate synthase	0.0107	0.2508	0.7423
Schistosoma mansoni	DNA helicase recq5	0.0009	0.0057	0.0042
Echinococcus granulosus	rhodopsin orphan GPCR	0.0008	0.0041	0.0025
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0017	0.025	0.0467
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.000000000090233	0.00000000081418
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0008	0.0041	0.0025
Echinococcus granulosus	lipoxygenase domain containing protein	0.0039	0.0818	0.0804
Echinococcus granulosus	g protein coupled receptor	0.0008	0.0041	0.0025
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0057	0.0000000002816
Echinococcus granulosus	neuropeptide Y receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	tm gpcr rhodopsin	0.0008	0.0041	0.0025
Echinococcus granulosus	neuropeptide receptor A26	0.0008	0.0041	0.0025
Echinococcus granulosus	dihydrofolate reductase	0.0044	0.0927	0.0913
Echinococcus multilocularis	dna polymerase kappa	0.0041	0.0859	0.0844
Plasmodium falciparum	LCCL domain-containing protein	0.0039	0.0818	0.215
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	biogenic amine receptor	0.0008	0.0041	0.0025
Brugia malayi	dihydrofolate reductase family protein	0.0044	0.0927	0.2667
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0014	0.0198	0.0474
Echinococcus granulosus	neuropeptide FF receptor 2	0.0008	0.0041	0.0025
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0362	0.0691
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0008	0.0041	0.0025
Echinococcus granulosus	serotonin receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	hypothetical protein	0.0008	0.0041	0.0025
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.1904	0.1891
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0859	0.2121
Echinococcus multilocularis	neuropeptide s receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	amine GPCR	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0818	0.2339
Loa Loa (eye worm)	dihydrofolate reductase	0.0044	0.0927	0.2667
Brugia malayi	hypothetical protein	0.0039	0.0818	0.2339
Echinococcus granulosus	neuropeptides capa receptor	0.0008	0.0041	0.0025
Brugia malayi	ImpB/MucB/SamB family protein	0.0014	0.0198	0.0474
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0009	0.0057	0.0042
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0056	0.0047
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0008	0.0041	0.0025
Brugia malayi	hypothetical protein	0.0039	0.0818	0.2339
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Echinococcus granulosus	g protein coupled receptor	0.0008	0.0041	0.0025
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0362	0.0785
Loa Loa (eye worm)	doublecortin family protein	0.0039	0.0818	0.2339
Brugia malayi	Bloom's syndrome protein homolog	0.0021	0.0368	0.0987
Brugia malayi	thymidylate synthase	0.0107	0.2508	0.7423
Brugia malayi	Protein kinase domain containing protein	0.0141	0.3364	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0151	0.3596	1
Echinococcus granulosus	orexin receptor type 2	0.0008	0.0041	0.0025
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0041	0.0859	0.2121
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0061	0.1352	0.1338
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0044	0.0927	0.243
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0419	0.1023
Echinococcus granulosus	g protein coupled receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	thymidylate synthase	0.0107	0.2508	0.2496
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0014	0.0198	0.0183
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0107	0.2508	0.2496
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	cpg binding protein	0.003	0.0593	0.0578
Trypanosoma brucei	DNA polymerase eta, putative	0.0014	0.0198	0.0318
Schistosoma mansoni	tyrosine kinase	0.0063	0.1414	0.14
Echinococcus multilocularis	insulin receptor	0.0141	0.3364	0.3354
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.119	0.3201
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0064	0.1442	0.4217
Echinococcus granulosus	somatostatin receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	somatostatin receptor	0.0008	0.0041	0.0025
Echinococcus granulosus	insulin receptor	0.0141	0.3364	0.3354
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0009	0.0057	0.0042
Trypanosoma brucei	DNA polymerase IV, putative	0.0034	0.0695	0.1733
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0008	0.0041	0.0025
Leishmania major	DNA polymerase eta, putative	0.0014	0.0198	0.022
Schistosoma mansoni	opsin-like receptor	0.0008	0.0041	0.0025
Echinococcus multilocularis	orexin receptor type 2	0.0008	0.0041	0.0025
Brugia malayi	Dihydrofolate reductase	0.0044	0.0927	0.2667
Schistosoma mansoni	polycystin 1-related	0.0039	0.0818	0.0804
Echinococcus multilocularis	g protein coupled receptor	0.0008	0.0041	0.0025
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0051	0.1108	0.284
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0014	0.0198	0.0781
Loa Loa (eye worm)	RecQ helicase	0.0021	0.0368	0.0987
Echinococcus multilocularis	serotonin receptor	0.0008	0.0041	0.0025
Schistosoma mansoni	DNA helicase recq1	0.0009	0.0057	0.0042
Trypanosoma brucei	DNA polymerase kappa, putative	0.0041	0.0859	0.22
Echinococcus granulosus	neuropeptide s receptor	0.0008	0.0041	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0057	0.005
Echinococcus granulosus	allatostatin A receptor	0.0008	0.0041	0.0025

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 44 %	Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay relative to S1P	ChEMBL.	24900288
EC50 (binding)	= 0.035 uM	Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy	ChEMBL.	24900288
EC50 (functional)	= 0.877 uM	Agonist activity at human S1P3R expressed in CHO cells by Ca(2+) mobilization assay	ChEMBL.	24900288
Efficacy (binding)	= 99 %	Induction of human GFP-tagged chimeric S1P1R internalization in human U2Os cells by fluorescence microscopy relative to 1-(4-(6-benzylbenzofuran-2-yl)-3-fluorobenzyl)azetidine-3-carboxylic acid	ChEMBL.	24900288

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1651858

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1505974