TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 476.478 | Formula: C21H21FN4O6S
H donors: 4 H acceptors: 8 LogP: 2.42 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: FCc1nc(O)c2c(n1)ccc(c2)CN(c1ccc(s1)C(=O)N[C@@H](C(=O)O)CCC(=O)O)C
InChi: 1S/C21H21FN4O6S/c1-26(10-11-2-3-13-12(8-11)19(29)25-16(9-22)23-13)17-6-5-15(33-17)20(30)24-14(21(31)32)4-7-18(27)28/h2-3,5-6,8,14H,4,7,9-10H2,1H3,(H,24,30)(H,27,28)(H,31,32)(H,23,25,29)/t14-/m1/s1
InChiKey: ZPFLYNMEQLMYLY-CQSZACIVSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	thymidylate synthase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Babesia bovis	dihydrofolate reductase/thymidilate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus granulosus	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium ulcerans	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium hominis	chain A, crystal structure of Dhfr	Get druggable targets OG5_127385	All targets in OG5_127385
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Cryptosporidium parvum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium knowlesi	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Trypanosoma brucei gambiense	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania mexicana	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania donovani	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania infantum	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania major	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Brugia malayi	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Neospora caninum	Bifunctional dihydrofolate reductase-thymidylate synthase, related	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	ko:K00560 thymidylate synthase [EC2.1.1.45], putative	Get druggable targets OG5_127385	All targets in OG5_127385
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_127385	All targets in OG5_127385
Loa Loa (eye worm)	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Leishmania braziliensis	dihydrofolate reductase-thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385
Theileria parva	dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium yoelii	thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Candida albicans	Thymidylate synthase capable of functional substitution for S. cerevisiae CDC21 (YOR074C)	Get druggable targets OG5_127385	All targets in OG5_127385
Plasmodium berghei	bifunctional dihydrofolate reductase-thymidylate synthase, putative	Get druggable targets OG5_127385	All targets in OG5_127385
Echinococcus multilocularis	thymidylate synthase	Get druggable targets OG5_127385	All targets in OG5_127385

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
Echinococcus granulosus	hypothetical protein	0.0108	0.0071	0.0509
Brugia malayi	thymidylate synthase	0.0195	0.0274	0.0274
Echinococcus granulosus	g protein coupled receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0195	0.0274	0.0719
Echinococcus granulosus	neuropeptide receptor A26	0.0108	0.0071	0.0509
Echinococcus multilocularis	fmrfamide receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Schistosoma mansoni	neuropeptide receptor	0.0108	0.0071	0.0509
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0079	0.0003	0.0025
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	opsin-like receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Trichomonas vaginalis	conserved hypothetical protein	0.0093	0.0036	0.0389
Onchocerca volvulus		0.0195	0.0274	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0195	0.0274	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Echinococcus multilocularis	neuropeptide receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0108	0.0071	0.0071
Brugia malayi	AKH receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0108	0.0071	0.0509
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0152	0.0174	0.0174
Brugia malayi	Dopamine receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0108	0.0071	0.0509
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.1712	0.382	1
Leishmania major	malonyl-coa decarboxylase-like protein	0.1712	0.382	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0108	0.0071	0.0509
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	tm gpcr rhodopsin	0.0108	0.0071	0.0509
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0108	0.0071	0.0071
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0152	0.0174	0.0455
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Echinococcus granulosus	7tm_1 domain containing protein	0.0108	0.0071	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0195	0.0274	0.1965
Echinococcus granulosus	fmrfamide receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Wolbachia endosymbiont of Brugia malayi	malonyl-CoA decarboxylase	0.4357	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Brugia malayi	hypothetical protein	0.0093	0.0036	0.0036
Echinococcus granulosus	neuropeptides capa receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	g-protein coupled receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Echinococcus multilocularis	fmrfamide receptor	0.0108	0.0071	0.0509
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0079	0.0003	0.0037
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	amine GPCR	0.0108	0.0071	0.0509
Schistosoma mansoni	amine GPCR	0.0503	0.0994	0.7118
Schistosoma mansoni	amine GPCR	0.0108	0.0071	0.0509
Echinococcus granulosus	dro:myosuppressin receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0079	0.0003	0.0003
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	sex peptide receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0108	0.0071	0.0509
Brugia malayi	G protein-coupled receptor F59B2.13	0.0108	0.0071	0.0071
Schistosoma mansoni	adenoreceptor	0.0108	0.0071	0.0509
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	biogenic amine receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	neuropeptide receptor	0.0108	0.0071	0.0509
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0195	0.0274	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Brugia malayi	Serotonin receptor	0.0108	0.0071	0.0071
Brugia malayi	G-protein coupled receptor	0.0108	0.0071	0.0071
Loa Loa (eye worm)	TYRA-2 protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0108	0.0071	0.0509
Echinococcus granulosus	allatostatin A receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0108	0.0071	0.0509
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0474	0.0928	1
Toxoplasma gondii	melibiase subfamily protein	0.0118	0.0095	0.3471
Echinococcus multilocularis	sex peptide receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	neuropeptide receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	hypothetical protein	0.0108	0.0071	0.0509
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0266	0.0441	0.3154
Schistosoma mansoni	histamine h1 receptor	0.0108	0.0071	0.0509
Brugia malayi	G-protein coupled receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0118	0.0095	0.0682
Echinococcus granulosus	serotonin receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	phosphatidylinositol 3	0.0134	0.0133	0.0133
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0108	0.0071	0.0509
Brugia malayi	putative neuropeptide receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Echinococcus granulosus	neuropeptide s receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0108	0.0071	0.0509
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0195	0.0274	0.0719
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	thymidylate synthase	0.0195	0.0274	0.1965
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0108	0.0071	0.0509
Echinococcus granulosus	tm gpcr rhodopsin	0.0108	0.0071	0.0509
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0474	0.0928	0.243
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0195	0.0274	0.0719
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0108	0.0071	0.0071
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0108	0.0071	0.0071
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0152	0.0174	0.1874
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0152	0.0174	0.0455
Schistosoma mansoni	hypothetical protein	0.0108	0.0071	0.0509
Echinococcus granulosus	neuropeptide FF receptor 2	0.0108	0.0071	0.0509
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Schistosoma mansoni	amine GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	orexin receptor type 2	0.0108	0.0071	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	myosin xvIII	0.0108	0.0071	0.0509
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0108	0.0071	0.0509
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0108	0.0071	0.0071
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Echinococcus granulosus	neuropeptides capa receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	tm gpcr rhodopsin	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	neuropeptide Y receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	orexin receptor type 2	0.0108	0.0071	0.0509
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0093	0.0036	0.0094
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0108	0.0071	0.0509
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0108	0.0071	0.0509
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0118	0.0095	0.0682
Brugia malayi	larval opioid receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	somatostatin receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	thymidylate synthase	0.0195	0.0274	0.0274
Echinococcus multilocularis	neuropeptide receptor A26	0.0108	0.0071	0.0509
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0152	0.0174	0.1874
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	neuropeptide receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	G protein coupled receptor 139	0.0108	0.0071	0.0509
Schistosoma mansoni	biogenic amine receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	g-protein coupled receptor	0.0108	0.0071	0.0509
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0195	0.0274	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0079	0.0003	0.0025
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.036	0.0662	0.7127
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0474	0.0928	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0195	0.0274	0.5
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0134	0.0133	0.0348
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	allatostatin A receptor	0.0108	0.0071	0.0509
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	thymidylate synthase	0.0195	0.0274	0.1965
Trypanosoma cruzi	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.1712	0.382	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0108	0.0071	0.0509
Brugia malayi	ORL1-like opioid receptor	0.0108	0.0071	0.0071
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0108	0.0071	0.0071
Schistosoma mansoni	neuropeptide receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.4357	1	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0118	0.0095	0.0682
Echinococcus granulosus	biogenic amine 5HT receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0675	0.1397	1
Echinococcus granulosus	g protein coupled receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	neuropeptide receptor	0.0108	0.0071	0.0509
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0474	0.0928	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0108	0.0071	0.0509
Echinococcus multilocularis	g protein coupled receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	neuropeptide F-like receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	dro:myosuppressin receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	neuropeptide f receptor 76f	0.0108	0.0071	0.0509
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0108	0.0071	0.0509
Brugia malayi	neuropeptide F receptor	0.0108	0.0071	0.0071
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0675	0.1397	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0108	0.0071	0.0509
Brugia malayi	Melatonin receptor type 1A	0.0108	0.0071	0.0071
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0152	0.0174	0.1874
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0118	0.0095	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0108	0.0071	0.0509
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0152	0.0174	0.1874
Echinococcus multilocularis	neuropeptides capa receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	g protein coupled receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0266	0.0441	0.0441
Echinococcus granulosus	somatostatin receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	neuropeptide receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	biogenic amine receptor	0.0108	0.0071	0.0509
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0191	0.0267	0.2873
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0201	0.0289	0.0289
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0108	0.0071	0.0509
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0266	0.0441	0.3154
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Schistosoma mansoni	opsin-like receptor	0.0108	0.0071	0.0509
Brugia malayi	GnHR receptor homolog	0.0108	0.0071	0.0071
Schistosoma mansoni	amine GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0108	0.0071	0.0509
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0152	0.0174	0.1245
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0118	0.0095	0.0682
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	g protein coupled receptor	0.0108	0.0071	0.0509
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Entamoeba histolytica	hypothetical protein	0.04	0.0754	0.8126
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0266	0.0441	0.0441
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0675	0.1397	1
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Brugia malayi	Melibiase family protein	0.0079	0.0003	0.0003
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0108	0.0071	0.0509
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0108	0.0071	0.0509
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0195	0.0274	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.04	0.0754	0.8126
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Echinococcus multilocularis	neuropeptide Y receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	growth hormone secretagogue receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	phosphatidylinositol 3	0.0601	0.1223	0.1223
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0152	0.0174	0.1874
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0474	0.0928	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0108	0.0071	0.0509
Trypanosoma brucei	malonyl-CoA decarboxylase, mitochondrial precursor, putative	0.1712	0.382	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0108	0.0071	0.0071
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Mycobacterium ulcerans	thymidylate synthase	0.0195	0.0274	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0118	0.0095	0.0682
Schistosoma mansoni	neuropeptide F-like receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0108	0.0071	0.0509
Echinococcus multilocularis	serotonin receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	neuropeptide F receptor	0.0108	0.0071	0.0071
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0108	0.0071	0.0509
Brugia malayi	Dopamine receptor protein 1	0.0108	0.0071	0.0071
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0108	0.0071	0.0071
Loa Loa (eye worm)	G-protein coupled receptor	0.0108	0.0071	0.0071
Schistosoma mansoni	opsin-like receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	neuropeptide F receptor	0.0108	0.0071	0.0071
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0286	0.0488	1
Brugia malayi	putative neuropeptide receptor NPR1	0.0108	0.0071	0.0071
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Brugia malayi	Dopamine receptor protein 2	0.0108	0.0071	0.0071
Brugia malayi	G protein-coupled receptor	0.0108	0.0071	0.0071
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0118	0.0095	0.0682
Brugia malayi	neuropeptide F receptor	0.0108	0.0071	0.0071
Echinococcus multilocularis	neuropeptides capa receptor	0.0108	0.0071	0.0509
Echinococcus granulosus	neuropeptide Y receptor	0.0108	0.0071	0.0509
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0457	0.0887	0.9559
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	G-protein coupled receptor	0.0108	0.0071	0.0071
Echinococcus granulosus	neuropeptide Y receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.036	0.0662	0.7127
Echinococcus granulosus	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0209	0.0307	0.0307
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0108	0.0071	0.0509
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0474	0.0928	0.243
Brugia malayi	RE15519p	0.0108	0.0071	0.0071
Brugia malayi	follicle stimulating hormone receptor	0.0108	0.0071	0.0071
Schistosoma mansoni	hypothetical protein	0.0108	0.0071	0.0509
Echinococcus multilocularis	neuropeptide s receptor	0.0108	0.0071	0.0509
Echinococcus multilocularis	serotonin receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus granulosus	7TM GPCR rhodopsin	0.0108	0.0071	0.0509
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0108	0.0071	0.0509
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	G protein coupled receptor 139	0.0108	0.0071	0.0509
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0108	0.0071	0.0071
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0108	0.0071	0.0509
Schistosoma mansoni	hypothetical protein	0.0108	0.0071	0.0509
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0474	0.0928	0.0928
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0108	0.0071	0.0509
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0108	0.0071	0.0509
Loa Loa (eye worm)	melatonin receptor type 1A	0.0108	0.0071	0.0071
Echinococcus granulosus	g protein coupled receptor	0.0108	0.0071	0.0509
Brugia malayi	Serotonin receptor	0.0108	0.0071	0.0071
Brugia malayi	hypothetical protein	0.0108	0.0071	0.0071
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0108	0.0071	0.0509
Brugia malayi	sulfakinin receptor protein	0.0108	0.0071	0.0071

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.016 uM	In vitro inhibition of L1210 cell growth in culture.	ChEMBL.	2033585
IC50 (functional)	= 0.016 uM	In vitro inhibition of L1210 cell growth in culture.	ChEMBL.	2033585
IC50 (binding)	= 1.36 uM	In vitro inhibition of partially purified L1210 thymidylate synthase (TS).	ChEMBL.	2033585
IC50 (binding)	= 1.36 uM	In vitro inhibition of partially purified L1210 thymidylate synthase (TS).	ChEMBL.	2033585

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	2033585

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: CHEMBL289697

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 59646