TDR Targets

Basic information

Technical information

TDR Targets ID: 417297
Name: N-(2,6-diphenylpyrimidin-4-yl)pentanamide
MW: 331.411 | Formula: C21H21N3O
H donors: 1 H acceptors: 3 LogP: 4.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCC(=O)Nc1cc(nc(n1)c1ccccc1)c1ccccc1
InChi: 1S/C21H21N3O/c1-2-3-14-20(25)23-19-15-18(16-10-6-4-7-11-16)22-21(24-19)17-12-8-5-9-13-17/h4-13,15H,2-3,14H2,1H3,(H,22,23,24,25)
InChiKey: AJUVVGPOXGXRAI-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

N-(2,6-diphenyl-4-pyrimidinyl)pentanamide
N-(2,6-diphenylpyrimidin-4-yl)valeramide
N-[2,6-di(phenyl)pyrimidin-4-yl]pentanamide
N-[2,6-di(phenyl)-4-pyrimidinyl]pentanamide
N-[2,6-di(phenyl)pyrimidin-4-yl]valeramide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	adenosine A1 receptor	Starlite/ChEMBL	References
Homo sapiens	adenosine A3 receptor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	hypothetical protein	adenosine A1 receptor	326 aa	305 aa	21.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	GTP-binding protein (O) alpha subunit, gnao, putative	0.0008	0.0049	0.0011
Brugia malayi	CXXC zinc finger family protein	0.0033	0.0512	0.0512
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1166	0.1166
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0187	0.3385	0.3385
Plasmodium falciparum	geranylgeranyl pyrophosphate synthase, putative	0.0313	0.5716	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0039	0.0625	0.4368
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1166	0.1166
Echinococcus multilocularis	geranylgeranyl pyrophosphate synthase	0.0079	0.1367	0.2391
Brugia malayi	Polyprenyl synthetase family protein	0.0313	0.5716	0.5716
Brugia malayi	Serotonin receptor	0.0006	0.0006	0.0006
Trypanosoma cruzi	polyprenyl synthase, putative	0.0079	0.1367	0.1848
Echinococcus multilocularis	neuropeptides capa receptor	0.0006	0.0006	0.001
Echinococcus granulosus	g-protein coupled receptor	0.0006	0.0006	0.001
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0008	0.0049	0.0049
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0008	0.0049	0.0011
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0033	0.0512	0.0512
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Trichomonas vaginalis	GTP-binding protein (q) alpha-11 subunit, gna11, putative	0.0008	0.0049	0.0011
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0008	0.0049	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0187	0.3385	0.5921
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0006	0.0006	0.0006
Trypanosoma brucei	farnesyl pyrophosphate synthase	0.0313	0.5716	1
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0691	0.058
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0164	0.2949	0.2949
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0115	0.0202
Loa Loa (eye worm)	heterotrimeric G protein alpha subunit	0.0008	0.0049	0.0049
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Mycobacterium tuberculosis	Probable multifunctional geranylgeranyl pyrophosphate synthetase IdsA1 (GGPP synthetase) (ggppsase) (geranylgeranyl diphosphate	0.0079	0.1367	0.166
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0006	0.0006	0.001
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Echinococcus granulosus	expressed protein	0.0008	0.0049	0.0085
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0051	0.009
Schistosoma mansoni	hypothetical protein	0.0035	0.0554	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.1166	0.1166
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Schistosoma mansoni	histamine h1 receptor	0.0006	0.0006	0.0006
Brugia malayi	G-protein alpha subunit	0.0008	0.0049	0.0049
Mycobacterium tuberculosis	Probable polyprenyl-diphosphate synthase GrcC2 (polyprenyl pyrophosphate synthetase)	0.0079	0.1367	0.166
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0572	0.0536
Brugia malayi	hypothetical protein	0.0017	0.021	0.021
Loa Loa (eye worm)	G protein alpha subunit 3	0.0008	0.0049	0.0049
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0187	0.3385	0.3385
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0008	0.0049	0.0049
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0089	0.0089
Loa Loa (eye worm)	polyprenyl synthetase	0.0313	0.5716	0.5716
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Mycobacterium tuberculosis	Possible polyprenyl synthetase IdsB (polyprenyl transferase) (polyprenyl diphosphate synthase)	0.0079	0.1367	0.166
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Loa Loa (eye worm)	neuropeptide F receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	prenyl decaprenyl diphosphate synthase	0.0079	0.1367	0.2391
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0008	0.0049	0.0049
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0006	0.0006	0.001
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0572	0.0536
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0006	0.0006	0.0006
Brugia malayi	RE15519p	0.0006	0.0006	0.0006
Entamoeba histolytica	hypothetical protein	0.0035	0.0554	0.3833
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	neuropeptide receptor	0.0006	0.0006	0.001
Entamoeba histolytica	bifunctional short chain isoprenyl diphosphate synthase, putative	0.0079	0.1367	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.1199	0.1199
Leishmania major	solanesyl-diphosphate synthase, putative	0.0079	0.1367	0.1848
Schistosoma mansoni	cpg binding protein	0.0033	0.0512	0.0512
Echinococcus granulosus	tar DNA binding protein	0.0068	0.1166	0.204
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0008	0.0049	0.0011
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-12 subunit	0.0008	0.0049	0.0049
Plasmodium vivax	geranylgeranyl pyrophosphate synthase	0.0313	0.5716	1
Brugia malayi	hypothetical protein	0.0026	0.0381	0.0381
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0079	0.1367	1
Brugia malayi	G-protein coupled receptor	0.0006	0.0006	0.0006
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0006	0.0006	0.0006
Echinococcus granulosus	neuropeptides capa receptor	0.0006	0.0006	0.001
Echinococcus multilocularis	fmrfamide receptor	0.0006	0.0006	0.001
Echinococcus multilocularis	G protein coupled receptor 139	0.0006	0.0006	0.001
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Loa Loa (eye worm)	RNA binding protein	0.0068	0.1166	0.1166
Onchocerca volvulus		0.0008	0.0049	0.0849
Echinococcus multilocularis	allatostatin A receptor	0.0006	0.0006	0.001
Brugia malayi	sulfakinin receptor protein	0.0006	0.0006	0.0006
Echinococcus granulosus	neuropeptide FF receptor 2	0.0006	0.0006	0.001
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0006	0.0006	0.001
Brugia malayi	Dopamine receptor	0.0006	0.0006	0.0006
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0006	0.0006	0.0006
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0006	0.0006	0.0006
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0572	0.0536
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0691	0.058
Echinococcus granulosus	biogenic amine 5HT receptor	0.0006	0.0006	0.001
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0079	0.1367	0.1848
Echinococcus multilocularis	orexin receptor type 2	0.0006	0.0006	0.001
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0691	0.1208
Echinococcus granulosus	sex peptide receptor	0.0006	0.0006	0.001
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0115	0.0202
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0008	0.0049	0.0049
Echinococcus granulosus	7TM GPCR rhodopsin	0.0006	0.0006	0.001
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0008	0.0049	0.0085
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0006	0.0006	0.001
Entamoeba histolytica	geranylgeranyl pyrophosphate synthase, putative	0.0079	0.1367	1
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0079	0.1367	0.1848
Echinococcus granulosus	cpg binding protein	0.0035	0.0547	0.0957
Entamoeba histolytica	hypothetical protein	0.0035	0.0554	0.3833
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0554	0.0969
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0006	0.0006	0.0006
Echinococcus granulosus	guanine nucleotide binding protein subunit	0.0008	0.0049	0.0085
Entamoeba histolytica	geranylgeranyl pyrophosphate synthetase, putative	0.0079	0.1367	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0006	0.0006	0.0006
Loa Loa (eye worm)	polyprenyl synthetase	0.0079	0.1367	0.1367
Brugia malayi	acetyltransferase, GNAT family protein	0.0145	0.259	0.259
Echinococcus granulosus	7tm_1 domain containing protein	0.0006	0.0006	0.001
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0691	0.0655
Echinococcus granulosus	neuropeptide receptor	0.0006	0.0006	0.001
Schistosoma mansoni	hypothetical protein	0.0164	0.2949	0.2949
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	dro:myosuppressin receptor	0.0006	0.0006	0.001
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0006	0.0006	0.0006
Echinococcus multilocularis	gtp binding protein (I) alpha 1subunit	0.0008	0.0049	0.0085
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0187	0.3385	0.5921
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0051	0.009
Echinococcus granulosus	neuropeptides capa receptor	0.0006	0.0006	0.001
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Mycobacterium ulcerans	glutaminase	0.0543	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	cpg binding protein	0.0035	0.0547	0.0547
Mycobacterium ulcerans	polyprenyl synthetase IdsB	0.0079	0.1367	0.0844
Echinococcus multilocularis	prenyl (decaprenyl) diphosphate synthase	0.0079	0.1367	0.2391
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0089	0.0155
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	amine GPCR	0.0006	0.0006	0.0006
Echinococcus granulosus	tm gpcr rhodopsin	0.0006	0.0006	0.001
Brugia malayi	putative neuropeptide receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	geranylgeranyl pyrophosphate synthase	0.0079	0.1367	0.2391
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0554	0.0969
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0141	0.2515	0.44
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0313	0.5716	0.57
Brugia malayi	Guanine nucleotide-binding protein alpha-6 subunit, putative	0.0008	0.0049	0.0049
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.1166	0.204
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0008	0.0049	0.0011
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0187	0.3385	0.5921
Echinococcus granulosus	orexin receptor type 2	0.0006	0.0006	0.001
Schistosoma mansoni	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.1166	0.1166
Brugia malayi	RNA binding protein	0.0068	0.1166	0.1166
Schistosoma mansoni	glutathione synthetase	0.0079	0.1367	0.1367
Echinococcus multilocularis	g protein coupled receptor	0.0006	0.0006	0.001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0187	0.3385	0.3385
Echinococcus granulosus	g protein coupled receptor	0.0006	0.0006	0.001
Plasmodium falciparum	histone acetyltransferase GCN5	0.0039	0.0625	0.0456
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0572	0.0357
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	putative neuropeptide receptor NPR1	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Toxoplasma gondii	polyprenyl synthetase superfamily protein	0.0313	0.5716	1
Brugia malayi	larval opioid receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	hypothetical protein	0.0006	0.0006	0.001
Echinococcus multilocularis	serotonin receptor	0.0006	0.0006	0.001
Schistosoma mansoni	farnesyl pyrophosphate synthase	0.0313	0.5716	0.5716
Echinococcus granulosus	serotonin receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	geranylgeranyl pyrophosphate synthetase	0.0079	0.1367	0.1367
Schistosoma mansoni	myosin xvIII	0.0006	0.0006	0.0006
Brugia malayi	guanine nucleotide-binding protein G-o protein alpha subunit	0.0008	0.0049	0.0049
Loa Loa (eye worm)	G-protein coupled receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0049	0.0049
Echinococcus multilocularis	fmrfamide receptor	0.0006	0.0006	0.001
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0006	0.0006	0.001
Schistosoma mansoni	amine GPCR	0.0006	0.0006	0.0006
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1166	0.1166
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0572	0.1
Echinococcus multilocularis	somatostatin receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Trypanosoma cruzi	polyprenyl synthase, putative	0.0079	0.1367	0.1848
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0008	0.0049	0.0049
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0006	0.0006	0.001
Schistosoma mansoni	glutaminase	0.0543	1	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0006	0.0006	0.001
Schistosoma mansoni	neuropeptide f receptor 76f	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0381	0.0381
Brugia malayi	Polyprenyl synthetase family protein	0.0079	0.1367	0.1367
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0006	0.0006	0.0006
Brugia malayi	neuropeptide F receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	cpg binding protein	0.0035	0.0547	0.0547
Echinococcus multilocularis	g-protein coupled receptor	0.0006	0.0006	0.001
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.1126	0.1396
Brugia malayi	G-protein coupled receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0049	0.0049
Leishmania major	polyprenyl synthase, putative	0.0079	0.1367	0.1848
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0006	0.0006	0.001
Onchocerca volvulus		0.0008	0.0049	0.0849
Trichomonas vaginalis	geranylgeranyl diphosphate synthase, putative	0.0313	0.5716	0.57
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0572	0.0357
Brugia malayi	AKH receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	opsin-like receptor	0.0006	0.0006	0.0006
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0572	0.3965
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0051	0.009
Echinococcus multilocularis	expressed protein	0.0008	0.0049	0.0085
Schistosoma mansoni	trimeric G-protein alpha o subunit	0.0008	0.0049	0.0049
Echinococcus granulosus	fmrfamide receptor	0.0006	0.0006	0.001
Brugia malayi	Guanine nucleotide-binding protein alpha-12 subunit, putative	0.0008	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus granulosus	biogenic amine 5HT receptor	0.0006	0.0006	0.001
Trichomonas vaginalis	GTP-binding protein (z) alpha subunit, gnaz, putative	0.0008	0.0049	0.0011
Echinococcus granulosus	farnesyl pyrophosphate synthase	0.0313	0.5716	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0006	0.0006	0.001
Schistosoma mansoni	biogenic amine receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0006	0.0006
Brugia malayi	Dopamine receptor protein 1	0.0006	0.0006	0.0006
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0006	0.0006	0.001
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	sex peptide receptor	0.0006	0.0006	0.001
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0089	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0049	0.0049
Schistosoma mansoni	amine GPCR	0.0006	0.0006	0.0006
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0572	0.0357
Echinococcus granulosus	g protein coupled receptor	0.0006	0.0006	0.001
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1166	0.1166
Echinococcus multilocularis	g protein coupled receptor	0.0006	0.0006	0.001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0187	0.3385	0.3385
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Brugia malayi	Guanine nucleotide-binding protein alpha-3 subunit, putative	0.0008	0.0049	0.0049
Onchocerca volvulus		0.0008	0.0049	0.0849
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0049	0.0049
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	acetyltransferase	0.0145	0.259	0.259
Echinococcus multilocularis	geminin	0.0164	0.2949	0.5159
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0006	0.0006	0.001
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0691	0.0655
Trypanosoma cruzi	farnesyl pyrophosphate synthase, putative	0.0313	0.5716	1
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0572	0.1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0006	0.0006	0.0006
Brugia malayi	neuropeptide F receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0006	0.0006	0.0006
Brugia malayi	Inositol-1	0.0036	0.0572	0.0572
Schistosoma mansoni	adenoreceptor	0.0006	0.0006	0.0006
Echinococcus granulosus	g protein coupled receptor	0.0006	0.0006	0.001
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0572	0.0357
Leishmania major	farnesyl pyrophosphate synthase	0.0313	0.5716	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0006	0.0006	0.0006
Loa Loa (eye worm)	melatonin receptor type 1A	0.0006	0.0006	0.0006
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0006	0.0006	0.001
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0145	0.259	0.4532
Trichomonas vaginalis	G protein (olf) alpha subunit, gnal, putative	0.0008	0.0049	0.0011
Mycobacterium tuberculosis	Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase)	0.0313	0.5716	1
Echinococcus multilocularis	g protein coupled receptor	0.0006	0.0006	0.001
Trypanosoma cruzi	farnesyl pyrophosphate synthase	0.0313	0.5716	1
Loa Loa (eye worm)	guanine nucleotide-binding protein alpha-6 subunit	0.0008	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	GnHR receptor homolog	0.0006	0.0006	0.0006
Echinococcus granulosus	tm gpcr rhodopsin	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	amine GPCR	0.0006	0.0006	0.0006
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0006	0.0006	0.001
Echinococcus multilocularis	farnesyl pyrophosphate synthase	0.0313	0.5716	1
Echinococcus granulosus	neuropeptide s receptor	0.0006	0.0006	0.001
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0187	0.3385	0.3385
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	decaprenyl diphosphate synthase subunit 1	0.0079	0.1367	0.2391
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0313	0.5716	0.5457
Brugia malayi	GTP-binding regulatory protein alpha chain - starfish, putative	0.0008	0.0049	0.0049
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0006	0.0006
Echinococcus multilocularis	neuropeptide Y receptor	0.0006	0.0006	0.001
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0572	0.0572
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0006	0.0006	0.0006
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus granulosus	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Trypanosoma brucei	RNA helicase, putative	0.0135	0.2412	0.3806
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.1166	0.1166
Schistosoma mansoni	opsin-like receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	dro:myosuppressin receptor	0.0006	0.0006	0.001
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0086	0.0086
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Entamoeba histolytica	hypothetical protein	0.0035	0.0554	0.3833
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.1166	0.1166
Echinococcus multilocularis	neuropeptide receptor A26	0.0006	0.0006	0.001
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	glutaminase	0.0543	1	1
Mycobacterium ulcerans	geranylgeranyl pyrophosphate synthase	0.0313	0.5716	0.5457
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0008	0.0049	0.0085
Wolbachia endosymbiont of Brugia malayi	geranylgeranyl pyrophosphate synthase	0.0079	0.1367	1
Brugia malayi	hypothetical protein	0.0035	0.0554	0.0554
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0006	0.0006	0.001
Brugia malayi	guanine nucleotide-binding protein alpha-3 subunit, putative	0.0008	0.0049	0.0049
Trichomonas vaginalis	GTP-binding protein alpha subunit, gna, putative	0.0008	0.0049	0.0011
Echinococcus granulosus	somatostatin receptor	0.0006	0.0006	0.001
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0008	0.0049	0.0049
Loa Loa (eye worm)	glutaminase 2	0.0543	1	1
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0006	0.0006	0.0006
Treponema pallidum	octaprenyl-diphosphate synthase	0.0079	0.1367	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0006	0.0006	0.001
Onchocerca volvulus		0.0033	0.0512	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0006	0.0006	0.0006
Chlamydia trachomatis	geranylgeranyl pyrophosphate synthase	0.0079	0.1367	0.5
Brugia malayi	guanine nucleotide-binding protein G(o), alpha subunit, putative	0.0008	0.0049	0.0049
Brugia malayi	follicle stimulating hormone receptor	0.0006	0.0006	0.0006
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0006	0.0006	0.001
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0006	0.0006	0.001
Schistosoma mansoni	hypothetical protein	0.0012	0.0115	0.0115
Brugia malayi	guanine nucleotide-binding protein alpha-7 subunit, putative	0.0008	0.0049	0.0049
Trichomonas vaginalis	glutaminase, putative	0.0543	1	1
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0008	0.0049	0.0049
Echinococcus granulosus	G protein coupled receptor 139	0.0006	0.0006	0.001
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0008	0.0049	0.0085
Schistosoma mansoni	growth hormone secretagogue receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	neuropeptide F receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0145	0.259	0.259
Schistosoma mansoni	neuropeptide F-like receptor	0.0006	0.0006	0.0006
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Brugia malayi	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Schistosoma mansoni	trans-prenyltransferase	0.0079	0.1367	0.1367
Schistosoma mansoni	amine GPCR	0.0006	0.0006	0.0006
Trypanosoma cruzi	solanesyl-diphosphate synthase, putative	0.0079	0.1367	0.1848
Echinococcus multilocularis	neuropeptide s receptor	0.0006	0.0006	0.001
Schistosoma mansoni	hypothetical protein	0.0135	0.2412	0.2412
Plasmodium vivax	octaprenyl pyrophosphate synthase, putative	0.0079	0.1367	0.1848
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus granulosus	geminin	0.0164	0.2949	0.5159
Giardia lamblia	Farnesyl diphosphate synthase	0.0313	0.5716	1
Brugia malayi	hypothetical protein	0.0008	0.0049	0.0049
Echinococcus multilocularis	guanine nucleotide binding protein subunit	0.0008	0.0049	0.0085
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0051	0.0051
Schistosoma mansoni	neuropeptide receptor	0.0006	0.0006	0.0006
Brugia malayi	G protein-coupled receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	decaprenyl diphosphate synthase subunit 1	0.0079	0.1367	0.2391
Brugia malayi	TAR-binding protein	0.0068	0.1166	0.1166
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0006	0.0006	0.001
Trypanosoma brucei	solanesyl-diphosphate synthase, putative	0.0079	0.1367	0.1848
Loa Loa (eye worm)	TYRA-2 protein	0.0006	0.0006	0.0006
Schistosoma mansoni	GTP-binding protein (I) alpha-2 subunit gnai2	0.0008	0.0049	0.0049
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0006	0.0006	0.001
Brugia malayi	Serotonin receptor	0.0006	0.0006	0.0006
Loa Loa (eye worm)	GTP-binding regulatory protein alpha chain	0.0008	0.0049	0.0049
Schistosoma mansoni	GTP-binding protein (I) alpha subunit gnai	0.0008	0.0049	0.0049
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0006	0.0006	0.0006
Echinococcus granulosus	neuropeptide receptor A26	0.0006	0.0006	0.001
Plasmodium falciparum	octaprenyl pyrophosphate synthase	0.0079	0.1367	0.1848
Schistosoma mansoni	GTP-binding protein alpha subunit	0.0008	0.0049	0.0049
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0691	0.058
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0554	0.0554
Trichomonas vaginalis	geranylgeranyl pyrophosphate synthase, putative	0.0313	0.5716	0.57
Echinococcus multilocularis	guanine nucleotide binding protein (G protein)	0.0008	0.0049	0.0085
Loa Loa (eye worm)	inositol-1	0.0036	0.0572	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Loa Loa (eye worm)	G-protein coupled receptor	0.0006	0.0006	0.0006
Echinococcus multilocularis	neuropeptide Y receptor	0.0006	0.0006	0.001
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0051	0.009
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0572	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Loa Loa (eye worm)	geranylgeranyl pyrophosphate synthetase	0.0079	0.1367	0.1367
Brugia malayi	ORL1-like opioid receptor	0.0006	0.0006	0.0006
Echinococcus multilocularis	neuropeptides capa receptor	0.0006	0.0006	0.001
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0006	0.0006	0.001
Echinococcus multilocularis	serotonin receptor	0.0006	0.0006	0.001
Echinococcus granulosus	neuropeptide receptor	0.0006	0.0006	0.001
Schistosoma mansoni	GTP-binding protein (q) alpha-11 subunit gna11	0.0008	0.0049	0.0049
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0006	0.0006	0.001
Entamoeba histolytica	hypothetical protein	0.0035	0.0554	0.3833
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Schistosoma mansoni	geranylgeranyl pyrophosphate synthase	0.0079	0.1367	0.1367
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Schistosoma mansoni	GTP-binding protein alpha subunit gna	0.0008	0.0049	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus granulosus	guanine nucleotide binding protein G protein	0.0008	0.0049	0.0085
Echinococcus granulosus	neuropeptide Y receptor	0.0006	0.0006	0.001
Schistosoma mansoni	GTP-binding protein (I) alpha-1subunit gnai1	0.0008	0.0049	0.0049
Echinococcus multilocularis	cpg binding protein	0.0035	0.0547	0.0957
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0187	0.3385	0.5921
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0572	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Echinococcus granulosus	neuropeptide Y receptor	0.0006	0.0006	0.001
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0006	0.0006
Trypanosoma cruzi	solanesyl-diphosphate synthase	0.0079	0.1367	0.1848
Mycobacterium ulcerans	polyprenyl diphosphate synthetase, GrcC1	0.0079	0.1367	0.0844
Loa Loa (eye worm)	hypothetical protein	0.0008	0.0049	0.0049
Echinococcus granulosus	allatostatin A receptor	0.0006	0.0006	0.001
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0006	0.0006	0.0006
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0006	0.0006	0.0006
Echinococcus multilocularis	neuropeptide receptor	0.0006	0.0006	0.001
Brugia malayi	Melatonin receptor type 1A	0.0006	0.0006	0.0006
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0006	0.0006	0.001
Schistosoma mansoni	opsin-like receptor	0.0006	0.0006	0.0006
Brugia malayi	Dopamine receptor protein 2	0.0006	0.0006	0.0006
Echinococcus granulosus	gtp binding protein I alpha 1subunit	0.0008	0.0049	0.0085
Mycobacterium leprae	PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE)	0.0079	0.1367	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 48 %	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells at 1 uM	ChEMBL.	15588088
Activity (binding)	= 48 %	Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells at 1 uM	ChEMBL.	15588088
Ki (binding)	= 109 nM	Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells	ChEMBL.	15588088
Ki (binding)	= 392 nM	Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in HEK293 cells	ChEMBL.	15588088

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: CHEMBL222432
PubChem: 11404772

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 417297