TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 394.286 | Formula: C16H16BrN3O2S
H donors: 1 H acceptors: 3 LogP: 2.79 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1[C@H](N2CCS/C/2=N/C#N)c2cc(Br)ccc2C(=O)C1(C)C
InChi: 1S/C16H16BrN3O2S/c1-16(2)13(21)10-4-3-9(17)7-11(10)12(14(16)22)20-5-6-23-15(20)19-8-18/h3-4,7,12,14,22H,5-6H2,1-2H3/t12-,14+/m1/s1
InChiKey: DCTYIAZZAGQQBB-OCCSQVGLSA-N

Network

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Target Layer

Model Organisms

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

TDR Pathogens:

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

Other Pathogens:

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

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	7TM GPCR rhodopsin	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0229	0.0408	0.0408
Brugia malayi	Dopamine receptor protein 1	0.0229	0.0408	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	biogenic amine 5HT receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	hypothetical protein	0.0229	0.0408	0.0408
Loa Loa (eye worm)	TYRA-2 protein	0.0229	0.0408	0.2442
Schistosoma mansoni	myosin xvIII	0.0229	0.0408	0.2127
Echinococcus multilocularis	allatostatin A receptor	0.0229	0.0408	0.0408
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0384	0.1002	0.8019
Brugia malayi	ORL1-like opioid receptor	0.0229	0.0408	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	7tm_1 domain containing protein	0.0229	0.0408	0.0408
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2736	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0205	0.0316	0.1894
Brugia malayi	neuropeptide F receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	opsin-like receptor	0.0229	0.0408	0.2127
Onchocerca volvulus		0.0229	0.0408	0.5
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0205	0.0316	0.0316
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0285	0.0623	1
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0174	0.02	0.16
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Echinococcus granulosus	g protein coupled receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0205	0.0316	0.1649
Echinococcus granulosus	neuropeptide s receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0229	0.0408	0.2127
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0229	0.0408	0.3262
Echinococcus multilocularis	neuropeptide s receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	amine GPCR	0.0229	0.0408	0.2127
Onchocerca volvulus		0.0229	0.0408	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0229	0.0408	0.0408
Brugia malayi	putative neuropeptide receptor	0.0229	0.0408	0.3262
Echinococcus multilocularis	neuropeptide Y receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0229	0.0408	0.2127
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0267	0.0556	0.0556
Onchocerca volvulus		0.0229	0.0408	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	fmrfamide receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	sex peptide receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0134	0.0047	0.1478
Schistosoma mansoni	hypothetical protein	0.0229	0.0408	0.2127
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0623	0.1917	0.1917
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0229	0.0408	0.0408
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0229	0.0408	0.0408
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Echinococcus granulosus	tm gpcr rhodopsin	0.0229	0.0408	0.0408
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0229	0.0408	0.0408
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Loa Loa (eye worm)	neuropeptide F receptor	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0267	0.0556	0.333
Echinococcus granulosus	g-protein coupled receptor	0.0229	0.0408	0.0408
Trypanosoma cruzi	hypothetical protein, conserved	0.0952	0.3173	1
Echinococcus granulosus	somatostatin receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	neuropeptide receptor	0.0229	0.0408	0.0408
Loa Loa (eye worm)	phosphatidylinositol 3	0.0559	0.167	1
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0229	0.0408	0.2442
Echinococcus multilocularis	serotonin receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	serotonin receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0205	0.0316	1
Echinococcus granulosus	g protein coupled receptor	0.0229	0.0408	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Schistosoma mansoni	amine GPCR	0.0229	0.0408	0.2127
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0229	0.0408	0.3262
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0229	0.0408	0.0408
Echinococcus multilocularis	dro:myosuppressin receptor	0.0229	0.0408	0.0408
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0229	0.0408	0.0408
Brugia malayi	RE15519p	0.0229	0.0408	0.3262
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0168	0.0176	0.1411
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0205	0.0316	1
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0229	0.0408	0.0408
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0229	0.0408	0.2127
Echinococcus granulosus	neuropeptide FF receptor 2	0.0229	0.0408	0.0408
Schistosoma mansoni	biogenic amine receptor	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus multilocularis	g-protein coupled receptor	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0203	0.0308	0.2468
Brugia malayi	G protein-coupled receptor	0.0229	0.0408	0.3262
Onchocerca volvulus		0.0229	0.0408	0.5
Schistosoma mansoni	neuropeptide receptor	0.0229	0.0408	0.2127
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0267	0.0556	0.0556
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Schistosoma mansoni	hypothetical protein	0.0229	0.0408	0.2127
Loa Loa (eye worm)	phosphatidylinositol 3	0.0205	0.0316	0.1894
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	opsin-like receptor	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus granulosus	G protein coupled receptor 139	0.0229	0.0408	0.0408
Echinococcus multilocularis	neuropeptide receptor A26	0.0229	0.0408	0.0408
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0205	0.0316	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0168	0.0176	0.1411
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Onchocerca volvulus		0.0229	0.0408	0.5
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0229	0.0408	0.0408
Echinococcus multilocularis	orexin receptor type 2	0.0229	0.0408	0.0408
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0229	0.0408	0.2442
Brugia malayi	Melatonin receptor type 1A	0.0229	0.0408	0.3262
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	tm gpcr rhodopsin	0.0229	0.0408	0.0408
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Brugia malayi	G protein-coupled receptor F59B2.13	0.0229	0.0408	0.3262
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0449	0.125	0.3939
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0168	0.0176	0.092
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Schistosoma mansoni	adenoreceptor	0.0229	0.0408	0.2127
Onchocerca volvulus		0.0229	0.0408	0.5
Schistosoma mansoni	neuropeptide receptor	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	sex peptide receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0229	0.0408	0.2127
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0449	0.125	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Brugia malayi	neuropeptide F receptor	0.0229	0.0408	0.3262
Onchocerca volvulus		0.0229	0.0408	0.5
Brugia malayi	GnHR receptor homolog	0.0229	0.0408	0.3262
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Onchocerca volvulus		0.0229	0.0408	0.5
Echinococcus granulosus	dro:myosuppressin receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus granulosus	neuropeptide receptor	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0229	0.0408	0.2127
Schistosoma mansoni	biogenic amine receptor	0.0229	0.0408	0.2127
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0205	0.0316	0.0996
Echinococcus multilocularis	neuropeptide receptor	0.0229	0.0408	0.0408
Echinococcus multilocularis	G protein coupled receptor 139	0.0229	0.0408	0.0408
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0168	0.0176	0.1411
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0229	0.0408	0.2127
Loa Loa (eye worm)	G-protein coupled receptor	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Brugia malayi	follicle stimulating hormone receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	hypothetical protein	0.0229	0.0408	0.2127
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0229	0.0408	0.0408
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0205	0.0316	0.0996
Schistosoma mansoni	neuropeptide receptor	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0623	0.1917	0.1917
Loa Loa (eye worm)	melatonin receptor type 1A	0.0229	0.0408	0.2442
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0229	0.0408	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	neuropeptides capa receptor	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Brugia malayi	Dopamine receptor protein 2	0.0229	0.0408	0.3262
Echinococcus granulosus	neuropeptide Y receptor	0.0229	0.0408	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	amine GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	neuropeptides capa receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0229	0.0408	0.0408
Schistosoma mansoni	neuropeptide F-like receptor	0.0229	0.0408	0.2127
Brugia malayi	G-protein coupled receptor	0.0229	0.0408	0.3262
Echinococcus multilocularis	fmrfamide receptor	0.0229	0.0408	0.0408
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0205	0.0316	0.0996
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0168	0.0176	0.1411
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0229	0.0408	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	g protein coupled receptor	0.0229	0.0408	0.0408
Echinococcus multilocularis	neuropeptides capa receptor	0.0229	0.0408	0.0408
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Brugia malayi	larval opioid receptor	0.0229	0.0408	0.3262
Onchocerca volvulus		0.0229	0.0408	0.5
Onchocerca volvulus		0.0229	0.0408	0.5
Loa Loa (eye worm)	neuropeptide F receptor	0.0229	0.0408	0.2442
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0229	0.0408	0.2127
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0168	0.0176	0.0556
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0397	0.1052	0.8417
Echinococcus granulosus	tm gpcr rhodopsin	0.0229	0.0408	0.0408
Loa Loa (eye worm)	G-protein coupled receptor	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0229	0.0408	0.3262
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0229	0.0408	0.0408
Onchocerca volvulus		0.0229	0.0408	0.5
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Onchocerca volvulus		0.0229	0.0408	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.0229	0.0408	0.0408
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0229	0.0408	0.0408
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Brugia malayi	Dopamine receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0229	0.0408	0.2127
Schistosoma mansoni	amine GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0134	0.0047	0.028
Brugia malayi	sulfakinin receptor protein	0.0229	0.0408	0.3262
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0229	0.0408	0.0408
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0267	0.0556	0.4448
Echinococcus multilocularis	g protein coupled receptor	0.0229	0.0408	0.0408
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0168	0.0176	0.5579
Onchocerca volvulus		0.0229	0.0408	0.5
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Onchocerca volvulus		0.0229	0.0408	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	growth hormone secretagogue receptor	0.0229	0.0408	0.2127
Schistosoma mansoni	neuropeptide f receptor 76f	0.0229	0.0408	0.2127
Entamoeba histolytica	hypothetical protein	0.0384	0.1002	0.8019
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	g protein coupled receptor	0.0229	0.0408	0.0408
Brugia malayi	AKH receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0623	0.1917	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0205	0.0316	0.0996
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0205	0.0316	0.0316
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0205	0.0316	0.2529
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Onchocerca volvulus		0.0229	0.0408	0.5
Onchocerca volvulus		0.0229	0.0408	0.5
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus granulosus	orexin receptor type 2	0.0229	0.0408	0.0408
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0229	0.0408	0.5
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0205	0.0316	0.0316
Brugia malayi	putative neuropeptide receptor NPR1	0.0229	0.0408	0.3262
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0229	0.0408	0.0408
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0229	0.0408	0.2442
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0205	0.0316	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0227	0.1358
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0205	0.0316	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0205	0.0316	0.2529
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0449	0.125	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.0205	0.0316	0.0996
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0229	0.0408	0.0408
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	serotonin receptor	0.0229	0.0408	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Leishmania major	hypothetical protein, conserved	0.1003	0.3371	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Echinococcus multilocularis	neuropeptides capa receptor	0.0229	0.0408	0.0408
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Echinococcus granulosus	neuropeptide receptor A26	0.0229	0.0408	0.0408
Echinococcus granulosus	neuropeptide Y receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus multilocularis	neuropeptide receptor	0.0229	0.0408	0.0408
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0168	0.0176	0.1411
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0449	0.125	1
Schistosoma mansoni	hypothetical protein	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Schistosoma mansoni	amine GPCR	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0229	0.0408	0.2127
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0205	0.0316	0.0316
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0229	0.0408	0.3262
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0229	0.0408	0.0408
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0205	0.0316	0.2529
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Onchocerca volvulus		0.0229	0.0408	0.5
Brugia malayi	G-protein coupled receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	opsin-like receptor	0.0229	0.0408	0.2127
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0205	0.0316	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Schistosoma mansoni	histamine h1 receptor	0.0229	0.0408	0.2127
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0168	0.0176	0.1411
Echinococcus granulosus	fmrfamide receptor	0.0229	0.0408	0.0408
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.035	0.087	0.6963
Brugia malayi	Serotonin receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	neuropeptide receptor	0.0229	0.0408	0.2127
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0229	0.0408	0.3262
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0449	0.125	0.3939
Echinococcus granulosus	allatostatin A receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0229	0.0408	0.2127
Echinococcus multilocularis	g protein coupled receptor	0.0229	0.0408	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0134	0.0047	0.0374
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0229	0.0408	0.0408
Schistosoma mansoni	neuropeptide F-like receptor	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0449	0.125	1
Trichomonas vaginalis	conserved hypothetical protein	0.0134	0.0047	0.0374
Brugia malayi	hypothetical protein	0.0229	0.0408	0.3262
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0205	0.0316	0.2529
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.035	0.087	0.6963
Echinococcus granulosus	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Brugia malayi	Serotonin receptor	0.0229	0.0408	0.3262
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0205	0.0316	0.1649
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0229	0.0408	0.0408
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0134	0.0047	0.1478
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0229	0.0408	0.2127
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0449	0.125	1
Echinococcus multilocularis	somatostatin receptor	0.0229	0.0408	0.0408
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0229	0.0408	0.0408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0205	0.0316	0.2529
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442
Schistosoma mansoni	biogenic amine receptor	0.0229	0.0408	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0229	0.0408	0.2442

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 26 %	Percentage of inhibition of noradrenaline-induced contractions in rat portal vein at 10 microM (in vitro)	ChEMBL.	8340916
Max fall in blood pressure (functional)	= 30.5 mmHg	Change in systolic blood pressure at intervals of 1 hr after oral administration of 1 mg/kg of compound in spontaneously hypertensive rats (in vitro)	ChEMBL.	8340916

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: 205714

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 110113