TDR Targets

Basic information

Technical information

TDR Targets ID: 69645
Name: 2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-py ridin-4-ylacetamide
MW: 345.351 | Formula: C20H15N3O3
H donors: 1 H acceptors: 3 LogP: 2.34 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C(=O)c1cn(c2c1cccc2)Cc1ccco1)Nc1ccncc1
InChi: 1S/C20H15N3O3/c24-19(20(25)22-14-7-9-21-10-8-14)17-13-23(12-15-4-3-11-26-15)18-6-2-1-5-16(17)18/h1-11,13H,12H2,(H,21,22,25)
InChiKey: LFKXPKVLLGTZEM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

2-[1-(2-furylmethyl)indol-3-yl]-2-oxo-N-(4-pyridyl)acetamide
2-[1-(2-furylmethyl)-3-indolyl]-2-oxo-N-(4-pyridyl)acetamide
2-[1-(furan-2-ylmethyl)indol-3-yl]-2-oxo-N-pyridin-4-yl-ethanamide
2-[1-(2-furfuryl)indol-3-yl]-2-keto-N-(4-pyridyl)acetamide
2-[1-(2-furylmethyl)indol-3-yl]-2-keto-N-(4-pyridyl)acetamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0063	0.4532	0.4229
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0063	0.4532	0.9463
Echinococcus multilocularis	serotonin receptor	0.0063	0.4532	0.9463
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0023	0.0887	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Echinococcus multilocularis	neuropeptide receptor A26	0.0063	0.4532	0.9463
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0063	0.4532	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0063	0.4532	0.9463
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0063	0.4532	0.4229
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	serotonin receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0063	0.4532	0.9463
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0063	0.4532	0.4229
Onchocerca volvulus		0.0063	0.4532	1
Echinococcus multilocularis	neuropeptide s receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0023	0.0887	0.0857
Brugia malayi	Melatonin receptor type 1A	0.0063	0.4532	0.4229
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0525	0.5911
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0887	0.5
Brugia malayi	G-protein coupled receptor	0.0063	0.4532	0.4229
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0525	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0063	0.4532	0.9463
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0115	0.9233	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	dro:myosuppressin receptor	0.0063	0.4532	0.9463
Mycobacterium leprae	HOLO-[ACYL-CARRIER PROTEIN] SYNTHASE ACPS (HOLO-ACP SYNTHASE) (CoA:APO-[ACP]PANTETHEINEPHOSPHOTRANSFERASE) (CoA:APO-[ACYL-CARRIE	0.0093	0.7179	1
Loa Loa (eye worm)	TYRA-2 protein	0.0063	0.4532	0.4229
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Schistosoma mansoni	hypothetical protein	0.0063	0.4532	0.9463
Echinococcus granulosus	neuropeptide Y receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	g protein coupled receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	tm gpcr rhodopsin	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Echinococcus granulosus	neuropeptide Y receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	RNA binding protein	0.0066	0.4759	0.4469
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.4759	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0887	0.0383
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Brugia malayi	Dopamine receptor	0.0063	0.4532	0.4229
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0525	0.5
Schistosoma mansoni	adenoreceptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	neuropeptide receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	neuropeptide receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	fmrfamide receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	serotonin receptor	0.0063	0.4532	0.9463
Brugia malayi	RNA binding protein	0.0066	0.4759	0.4469
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	hypothetical protein	0.0063	0.4532	0.9463
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0063	0.4532	0.9463
Brugia malayi	ORL1-like opioid receptor	0.0063	0.4532	0.4229
Echinococcus multilocularis	neuropeptide Y receptor	0.0063	0.4532	0.9463
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0063	0.4532	0.4229
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	transcription factor SMAD2	0.0124	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0063	0.4532	0.9463
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0525	0.5
Onchocerca volvulus		0.0063	0.4532	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0063	0.4532	0.9463
Brugia malayi	G protein-coupled receptor	0.0063	0.4532	0.4229
Echinococcus granulosus	hypothetical protein	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Brugia malayi	putative neuropeptide receptor	0.0063	0.4532	0.4229
Onchocerca volvulus		0.0063	0.4532	1
Echinococcus multilocularis	g protein coupled receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	neuropeptide receptor	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0525	0.5911
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Echinococcus granulosus	7TM GPCR rhodopsin	0.0063	0.4532	0.9463
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0887	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0525	0.5
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0063	0.4532	0.9463
Echinococcus multilocularis	somatostatin receptor	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0525	0.5911
Echinococcus granulosus	allatostatin A receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Onchocerca volvulus		0.0063	0.4532	1
Echinococcus granulosus	G protein coupled receptor 139	0.0063	0.4532	0.9463
Loa Loa (eye worm)	cytochrome P450 family protein	0.0045	0.287	0.2475
Brugia malayi	TAR-binding protein	0.0066	0.4759	0.4469
Schistosoma mansoni	amine GPCR	0.0063	0.4532	0.9463
Schistosoma mansoni	biogenic amine receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	allatostatin A receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	G protein coupled receptor 139	0.0063	0.4532	0.9463
Echinococcus granulosus	neuropeptide receptor A26	0.0063	0.4532	0.9463
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Brugia malayi	larval opioid receptor	0.0063	0.4532	0.4229
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0066	0.4759	0.4469
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0115	0.9233	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	tar DNA binding protein	0.0066	0.4759	1
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Brugia malayi	G protein-coupled receptor F59B2.13	0.0063	0.4532	0.4229
Brugia malayi	AKH receptor	0.0063	0.4532	0.4229
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	amine GPCR	0.0063	0.4532	0.9463
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0063	0.4532	0.9463
Echinococcus granulosus	tm gpcr rhodopsin	0.0063	0.4532	0.9463
Echinococcus multilocularis	neuropeptide receptor	0.0063	0.4532	0.9463
Brugia malayi	neuropeptide F receptor	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0063	0.4532	0.9463
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0525	0.5
Echinococcus granulosus	g protein coupled receptor	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Brugia malayi	neuropeptide F receptor	0.0063	0.4532	0.4229
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Echinococcus multilocularis	g protein coupled receptor	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0063	0.4532	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	neuropeptide F receptor	0.0063	0.4532	0.4229
Brugia malayi	G-protein coupled receptor	0.0063	0.4532	0.4229
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0063	0.4532	0.9463
Echinococcus granulosus	orexin receptor type 2	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	g protein coupled receptor	0.0063	0.4532	0.9463
Brugia malayi	putative neuropeptide receptor NPR1	0.0063	0.4532	0.4229
Brugia malayi	Cytochrome P450 family protein	0.0045	0.287	0.2475
Schistosoma mansoni	growth hormone secretagogue receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0063	0.4532	0.9463
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0063	0.4532	0.9463
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0887	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	fmrfamide receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0063	0.4532	0.4229
Brugia malayi	Dopamine receptor protein 2	0.0063	0.4532	0.4229
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0115	0.9233	0.5
Echinococcus granulosus	neuropeptide s receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Trypanosoma brucei	unspecified product	0.0019	0.0525	0.5911
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	tm gpcr rhodopsin	0.0063	0.4532	0.9463
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	neuropeptides capa receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	myosin xvIII	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0115	0.9233	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0063	0.4532	0.9463
Brugia malayi	GnHR receptor homolog	0.0063	0.4532	0.4229
Echinococcus multilocularis	neuropeptide Y receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	biogenic amine 5HT receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Onchocerca volvulus		0.0063	0.4532	1
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	opsin-like receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	orexin receptor type 2	0.0063	0.4532	0.9463
Schistosoma mansoni	histamine h1 receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Brugia malayi	Dopamine receptor protein 1	0.0063	0.4532	0.4229
Loa Loa (eye worm)	TAR-binding protein	0.0066	0.4759	0.4469
Schistosoma mansoni	biogenic amine receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	neuropeptides capa receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Echinococcus granulosus	neuropeptide FF receptor 2	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0063	0.4532	0.9463
Entamoeba histolytica	hypothetical protein	0.0023	0.0887	1
Brugia malayi	sulfakinin receptor protein	0.0063	0.4532	0.4229
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.4759	1
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0115	0.9233	0.5
Schistosoma mansoni	hypothetical protein	0.0063	0.4532	0.9463
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Echinococcus granulosus	tar DNA binding protein	0.0066	0.4759	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	somatostatin receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	MH2 domain-containing protein	0.0124	1	1
Onchocerca volvulus		0.0063	0.4532	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0063	0.4532	0.9463
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0063	0.4532	0.4229
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Echinococcus granulosus	dro:myosuppressin receptor	0.0063	0.4532	0.9463
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0525	0.5
Onchocerca volvulus		0.0063	0.4532	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0023	0.0887	0.0857
Loa Loa (eye worm)	neuropeptide F receptor	0.0063	0.4532	0.4229
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0887	1
Echinococcus granulosus	g-protein coupled receptor	0.0063	0.4532	0.9463
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0525	0.5911
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.4759	1
Onchocerca volvulus		0.0063	0.4532	1
Onchocerca volvulus		0.0063	0.4532	1
Echinococcus multilocularis	fmrfamide receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	G-protein coupled receptor	0.0063	0.4532	0.4229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0063	0.4532	0.4229
Brugia malayi	Serotonin receptor	0.0063	0.4532	0.4229
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Onchocerca volvulus		0.0063	0.4532	1
Echinococcus granulosus	sex peptide receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	opsin-like receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	neuropeptide f receptor 76f	0.0063	0.4532	0.9463
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0525	0.5
Schistosoma mansoni	neuropeptide receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	amine GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0063	0.4532	0.9463
Brugia malayi	Serotonin receptor	0.0063	0.4532	0.4229
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0115	0.9233	0.5
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	sex peptide receptor	0.0063	0.4532	0.9463
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0887	0.5
Schistosoma mansoni	biogenic amine receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	neuropeptide F-like receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	hypothetical protein	0.0063	0.4532	0.9463
Schistosoma mansoni	amine GPCR	0.0063	0.4532	0.9463
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Loa Loa (eye worm)	G-protein coupled receptor	0.0063	0.4532	0.4229
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0063	0.4532	0.9463
Echinococcus multilocularis	g protein coupled receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0063	0.4532	0.9463
Schistosoma mansoni	opsin-like receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	neuropeptides capa receptor	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	rhodopsin orphan GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	melatonin receptor type 1A	0.0063	0.4532	0.4229
Schistosoma mansoni	amine GPCR	0.0063	0.4532	0.9463
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0063	0.4532	0.4229
Echinococcus granulosus	7tm_1 domain containing protein	0.0063	0.4532	0.9463
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0063	0.4532	0.9463
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	L aminoadipate semialdehyde	0.0023	0.0887	0.0857
Echinococcus multilocularis	g-protein coupled receptor	0.0063	0.4532	0.9463
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0063	0.4532	0.9463
Onchocerca volvulus		0.0063	0.4532	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Echinococcus granulosus	neuropeptide receptor	0.0063	0.4532	0.9463
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0115	0.9233	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0063	0.4532	0.9463
Brugia malayi	follicle stimulating hormone receptor	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Brugia malayi	hypothetical protein	0.0063	0.4532	0.4229
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.4759	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0525	0.5911
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0063	0.4532	0.9463
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0525	0.5
Schistosoma mansoni	neuropeptide receptor	0.0063	0.4532	0.9463
Brugia malayi	RE15519p	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Loa Loa (eye worm)	hypothetical protein	0.0063	0.4532	0.4229
Brugia malayi	RNA recognition motif domain containing protein	0.0066	0.4759	0.4469
Schistosoma mansoni	tar DNA-binding protein	0.0066	0.4759	1
Schistosoma mansoni	neuropeptide receptor	0.0063	0.4532	0.9463
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0063	0.4532	0.9463

Activities

Activity type	Activity value	Assay description	Source	Reference
clogP	= 1.66	Calculated partition coefficient (clogP) (AlogP)	ChEMBL.	12699388
IC50 (functional)	= 595 nM	In vitro anticancer activity against human gastric NUGC3 cells	ChEMBL.	12699388
IC50 (functional)	= 595 nM	In vitro anticancer activity against human gastric NUGC3 cells	ChEMBL.	12699388

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	12699388

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

PubChem: 10936884

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 69645