TDR Targets

Basic information

Technical information

TDR Targets ID: 447267
Name: 4-(cycloheptylamino)-6-(pyridin-3-ylmethylami no)-1,7-naphthyridine-3-carbonitrile
MW: 372.466 | Formula: C22H24N6
H donors: 2 H acceptors: 4 LogP: 4.47 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cnc2c(c1NC1CCCCCC1)cc(nc2)NCc1cccnc1
InChi: 1S/C22H24N6/c23-11-17-14-25-20-15-27-21(26-13-16-6-5-9-24-12-16)10-19(20)22(17)28-18-7-3-1-2-4-8-18/h5-6,9-10,12,14-15,18H,1-4,7-8,13H2,(H,25,28)(H,26,27)
InChiKey: NMCXSWNTABUZSU-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

4-(cycloheptylamino)-6-(3-pyridylmethylamino)-1,7-naphthyridine-3-carbonitrile

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
Onchocerca volvulus		0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	amine GPCR	0.008	0.9571	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	neuropeptide receptor	0.008	0.9571	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.008	0.9571	0.5
Brugia malayi	follicle stimulating hormone receptor	0.008	0.9571	1
Echinococcus granulosus	orexin receptor type 2	0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	neuropeptide f receptor 76f	0.008	0.9571	0.5
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.008	0.9571	1
Brugia malayi	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.008	0.9571	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.008	0.9571	0.5
Echinococcus granulosus	alpha 1A adrenergic receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	biogenic amine receptor	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Schistosoma mansoni	neuropeptide F-like receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	somatostatin receptor	0.008	0.9571	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Brugia malayi	putative neuropeptide receptor NPR1	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus multilocularis	sex peptide receptor	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.008	0.9571	0.5
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Echinococcus granulosus	g protein coupled receptor	0.008	0.9571	0.5
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	neuropeptide receptor	0.008	0.9571	0.5
Echinococcus multilocularis	g protein coupled receptor	0.008	0.9571	0.5
Schistosoma mansoni	amine GPCR	0.008	0.9571	0.5
Echinococcus multilocularis	g protein coupled receptor	0.008	0.9571	0.5
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.008	0.9571	1
Echinococcus multilocularis	serotonin receptor	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.008	0.9571	0.5
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.008	0.9571	0.5
Schistosoma mansoni	amine GPCR	0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Brugia malayi	Serotonin receptor	0.008	0.9571	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.008	0.9571	1
Echinococcus granulosus	7tm_1 domain containing protein	0.008	0.9571	0.5
Echinococcus granulosus	neuropeptide receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Echinococcus granulosus	peptide allatostatin:somatostatin	0.008	0.9571	0.5
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.008	0.9571	1
Brugia malayi	ORL1-like opioid receptor	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.008	0.9571	0.5
Schistosoma mansoni	growth hormone secretagogue receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0082	1	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.008	0.9571	1
Brugia malayi	G protein-coupled receptor	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	allatostatin A receptor	0.008	0.9571	0.5
Echinococcus granulosus	serotonin receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	opsin-like receptor	0.008	0.9571	0.5
Brugia malayi	Serotonin receptor	0.008	0.9571	1
Echinococcus granulosus	allatostatin A receptor	0.008	0.9571	0.5
Brugia malayi	Melatonin receptor type 1A	0.008	0.9571	1
Schistosoma mansoni	neuropeptide receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.008	0.9571	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Echinococcus multilocularis	neuropeptide Y receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.008	0.9571	0.5
Echinococcus granulosus	tachykinin peptides receptor 99D	0.008	0.9571	0.5
Echinococcus granulosus	neuropeptide s receptor	0.008	0.9571	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	sex peptide receptor	0.008	0.9571	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.008	0.9571	1
Echinococcus multilocularis	G-protein coupled receptor, putative	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.008	0.9571	0.5
Schistosoma mansoni	neuropeptide receptor	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Brugia malayi	Dopamine receptor protein 2	0.008	0.9571	1
Brugia malayi	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	histamine h1 receptor	0.008	0.9571	0.5
Schistosoma mansoni	neuropeptide receptor	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Schistosoma mansoni	adenoreceptor	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.008	0.9571	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.008	0.9571	0.5
Echinococcus multilocularis	g-protein coupled receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	G-protein coupled receptor	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	hypothetical protein	0.008	0.9571	0.5
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Brugia malayi	Tachykinin-like peptides receptor 99D	0.008	0.9571	1
Echinococcus multilocularis	neuropeptide Y receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	TYRA-2 protein	0.008	0.9571	1
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.008	0.9571	0.5
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.008	0.9571	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.9571	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.008	0.9571	1
Echinococcus granulosus	g protein coupled receptor	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	orexin receptor type 2	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.008	0.9571	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.008	0.9571	0.5
Schistosoma mansoni	opsin-like receptor	0.008	0.9571	0.5
Schistosoma mansoni	myosin xvIII	0.008	0.9571	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus multilocularis	neuropeptide FF receptor 2	0.008	0.9571	0.5
Echinococcus multilocularis	neuropeptide receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0082	1	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Giardia lamblia	NADPH oxidoreductase, putative	0.0082	1	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.008	0.9571	0.5
Brugia malayi	sulfakinin receptor protein	0.008	0.9571	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Schistosoma mansoni	amine GPCR	0.008	0.9571	0.5
Schistosoma mansoni	neuropeptide F-like receptor	0.008	0.9571	0.5
Echinococcus multilocularis	serotonin receptor	0.008	0.9571	0.5
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0082	1	1
Brugia malayi	GnHR receptor homolog	0.008	0.9571	1
Echinococcus multilocularis	g protein coupled receptor	0.008	0.9571	0.5
Brugia malayi	neuropeptide F receptor	0.008	0.9571	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.008	0.9571	0.5
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Brugia malayi	Dopamine receptor	0.008	0.9571	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	g-protein coupled receptor	0.008	0.9571	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.008	0.9571	0.5
Brugia malayi	Dopamine receptor protein 1	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	melatonin receptor type 1A	0.008	0.9571	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.008	0.9571	0.5
Echinococcus multilocularis	neuropeptides capa receptor	0.008	0.9571	0.5
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	G protein coupled receptor 139	0.008	0.9571	0.5
Schistosoma mansoni	amine GPCR	0.008	0.9571	0.5
Schistosoma mansoni	hypothetical protein	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Schistosoma mansoni	hypothetical protein	0.008	0.9571	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	G-protein coupled receptor	0.008	0.9571	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Echinococcus multilocularis	fmrfamide receptor	0.008	0.9571	0.5
Echinococcus multilocularis	dro:myosuppressin receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.008	0.9571	0.5
Brugia malayi	putative neuropeptide receptor	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Echinococcus multilocularis	neuropeptide receptor	0.008	0.9571	0.5
Echinococcus multilocularis	neuropeptide receptor A26	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	neuropeptides capa receptor	0.008	0.9571	0.5
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0082	1	0.5
Brugia malayi	AKH receptor	0.008	0.9571	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Brugia malayi	neuropeptide F receptor	0.008	0.9571	1
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.008	0.9571	0.5
Echinococcus granulosus	neuropeptide Y receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Brugia malayi	RE15519p	0.008	0.9571	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine receptor	0.008	0.9571	0.5
Brugia malayi	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	neuropeptide receptor A26	0.008	0.9571	0.5
Echinococcus granulosus	neuropeptide FF receptor 2	0.008	0.9571	0.5
Echinococcus granulosus	tm gpcr rhodopsin	0.008	0.9571	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	dro:myosuppressin receptor	0.008	0.9571	0.5
Schistosoma mansoni	biogenic amine receptor	0.008	0.9571	0.5
Echinococcus granulosus	g protein coupled receptor	0.008	0.9571	0.5
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.008	0.9571	0.5
Schistosoma mansoni	opsin-like receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus granulosus	neuropeptides capa receptor	0.008	0.9571	0.5
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.008	0.9571	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.008	0.9571	0.5
Onchocerca volvulus		0.008	0.9571	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.008	0.9571	0.5
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Brugia malayi	hypothetical protein	0.008	0.9571	1
Echinococcus multilocularis	somatostatin receptor	0.008	0.9571	0.5
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.008	0.9571	0.5
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.008	0.9571	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.008	0.9571	0.5
Brugia malayi	larval opioid receptor	0.008	0.9571	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.008	0.9571	0.5
Schistosoma mansoni	alpha-1 adrenergic receptor	0.008	0.9571	0.5
Brugia malayi	G-protein coupled receptor	0.008	0.9571	1
Onchocerca volvulus		0.008	0.9571	0.5
Brugia malayi	G-protein coupled receptor	0.008	0.9571	1
Echinococcus granulosus	neuropeptide Y receptor	0.008	0.9571	0.5
Echinococcus multilocularis	fmrfamide receptor	0.008	0.9571	0.5
Echinococcus granulosus	fmrfamide receptor	0.008	0.9571	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of MK2 at 40 uM	ChEMBL.	17664070
Activity (binding)		Inhibition of P-p38 kinase in human monocytes at 40 uM	ChEMBL.	17664070
Activity (binding)	0	Inhibition of CAMK2 at 40 uM	ChEMBL.	17664070
Activity (binding)	0	Inhibition of MK2 at 40 uM	ChEMBL.	17664070
Activity (binding)	0	Inhibition of P-p38 kinase in human monocytes at 40 uM	ChEMBL.	17664070
AUC (ADMET)	= 1041 ng.hr.kg/mg/ml	AUC in iv dosed Sprague-Dawley rat	ChEMBL.	17664070
CL (ADMET)	= 30 ml/min.Kg	Clearance in Sprague-Dawley rat	ChEMBL.	17664070
F (ADMET)	= 14 %	Bioavailability in Sprague-Dawley rat	ChEMBL.	17664070
IC50 (binding)	= 0.16 uM	Inhibition of Tpl2 kinase assessed as MEK phosphorylation by ELISA	ChEMBL.	17664070
IC50 (functional)	= 0.5 uM	Inhibition of LPS-induced TNFalpha production in human monocytes	ChEMBL.	17664070
IC50 (functional)	= 4.5 uM	Inhibition of LPS-induced TNFalpha production in human blood	ChEMBL.	17664070
IC50 (functional)	= 4.5 uM	Inhibition of LPS-induced TNFalpha production in human blood	ChEMBL.	17664070
IC50 (binding)	> 20 uM	Inhibition of EGFR kinase autophosphorylation in A431 cells	ChEMBL.	17664070
IC50 (binding)	> 20 uM	Inhibition of EGFR kinase autophosphorylation in A431 cells	ChEMBL.	17664070
IC50 (binding)	= 38 uM	Inhibition of Src kinase	ChEMBL.	17664070
IC50 (binding)	= 38 uM	Inhibition of Src kinase	ChEMBL.	17664070
IC50 (binding)	> 40 uM	Inhibition of MEK	ChEMBL.	17664070
IC50 (binding)	> 40 uM	Inhibition of p38 kinase	ChEMBL.	17664070
IC50 (binding)	> 40 uM	Inhibition of PKA	ChEMBL.	17664070
IC50 (binding)	> 40 uM	Inhibition of PKC	ChEMBL.	17664070
IC50 (binding)	> 40 uM	Inhibition of S6 kinase	ChEMBL.	17664070
IC50 (binding)	> 40 uM	Inhibition of p38 kinase	ChEMBL.	17664070
Inhibition (functional)	= 86 %	Inhibition of LPS-induced TNFalpha production in C57B1/6 mouse at 10 mg/kg, ip	ChEMBL.	17664070
Inhibition (functional)	= 86 %	Inhibition of LPS-induced TNFalpha production in C57B1/6 mouse at 10 mg/kg, ip	ChEMBL.	17664070
Ratio IC50 (binding)	> 200	Selectivity of Tpl2 kinase over MK2	ChEMBL.	17664070
Ratio IC50 (binding)	> 200	Selectivity of Tpl2 kinase over p38 kinase	ChEMBL.	17664070
Ratio IC50 (binding)	> 200	Selectivity of Tpl2 kinase over MEK	ChEMBL.	17664070

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17664070

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: CHEMBL236384
PubChem: 17757434

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 447267