TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.964 | Formula: C25H30ClNO2
H donors: 0 H acceptors: 1 LogP: 6.5 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1c1cc(Cl)ccc1C)C(=O)N1C[C@@]2(C[C@H]1CC(C2)(C)C)C
InChi: 1S/C25H30ClNO2/c1-16-6-8-18(26)11-21(16)20-9-7-17(10-22(20)29-5)23(28)27-15-25(4)13-19(27)12-24(2,3)14-25/h6-11,19H,12-15H2,1-5H3/t19-,25-/m1/s1
InChiKey: ZOMODUIYBKFQKZ-KBMIEXCESA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	arginine vasopressin receptor 2	Starlite/ChEMBL	References
Homo sapiens	arginine vasopressin receptor 1A	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

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.084	1
Echinococcus multilocularis	neuropeptide receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	neuropeptide FF receptor 2	0.0005	0.0051	0.0065
Mycobacterium tuberculosis	Probable reductase	0.0107	0.7074	0.8958
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0005	0.0051	0.0065
Brugia malayi	neuropeptide F receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	dro:myosuppressin receptor	0.0005	0.0051	0.0065
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0075	0.4888	1
Brugia malayi	sulfakinin receptor protein	0.0005	0.0051	0.0065
Schistosoma mansoni	myosin xvIII	0.0005	0.0051	0.0051
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.084	0.1685
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0051	0.0051
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	amine GPCR	0.0005	0.0051	0.0051
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1654	0.3358
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0119	0.7894	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.084	0.1685
Onchocerca volvulus		0.0005	0.0051	0.0193
Onchocerca volvulus		0.0005	0.0051	0.0193
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0203	0.0376
Loa Loa (eye worm)	neuropeptide F receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0161	0.029
Echinococcus granulosus	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	opsin-like receptor	0.0005	0.0051	0.0051
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0005	0.0051	0.0065
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0016	0.084	0.1685
Echinococcus granulosus	neuropeptide receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0005	0.0051	0.0051
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.084	0.1685
Treponema pallidum	NADH oxidase	0.0016	0.084	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0161	0.029
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4888	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Schistosoma mansoni	cpg binding protein	0.003	0.1764	0.1764
Schistosoma mansoni	opsin-like receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0203	0.0376
Brugia malayi	neuropeptide F receptor	0.0005	0.0051	0.0065
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0075	0.4888	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0005	0.0051	0.0065
Echinococcus multilocularis	g protein coupled receptor	0.0005	0.0051	0.0065
Brugia malayi	GnHR receptor homolog	0.0005	0.0051	0.0065
Schistosoma mansoni	sulfide quinone reductase	0.0004	0.0019	0.0019
Schistosoma mansoni	hypothetical protein	0.0005	0.0051	0.0051
Brugia malayi	putative neuropeptide receptor NPR1	0.0005	0.0051	0.0065
Schistosoma mansoni	hypothetical protein	0.0005	0.0051	0.0051
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.2946	0.3716
Echinococcus granulosus	cpg binding protein	0.003	0.1764	0.3584
Plasmodium falciparum	glutathione reductase	0.0016	0.084	0.1685
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0005	0.0051	0.0065
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Schistosoma mansoni	glutamate synthase	0.0004	0.0019	0.0019
Schistosoma mansoni	neuropeptide f receptor 76f	0.0005	0.0051	0.0051
Schistosoma mansoni	adenoreceptor	0.0005	0.0051	0.0051
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0119	0.7894	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0005	0.0051	0.0065
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0005	0.0051	0.0065
Toxoplasma gondii	thioredoxin reductase	0.0047	0.2946	0.6011
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0543	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0016	0.084	0.1685
Brugia malayi	putative neuropeptide receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Echinococcus granulosus	biogenic amine 5HT receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	g protein coupled receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	g protein coupled receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.032	0.0618
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Schistosoma mansoni	disulfide oxidoreductase	0.0004	0.0019	0.0019
Schistosoma mansoni	glutamate synthase	0.0004	0.0019	0.0019
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.084	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0005	0.0051	0.0065
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.084	0.1042
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0016	0.084	0.1685
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.7074	0.8958
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.2946	0.6011
Echinococcus granulosus	g protein coupled receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	glutathione reductase	0.0047	0.2946	0.6011
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0005	0.0051	0.0065
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.084	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0051	0.0051
Brugia malayi	Serotonin receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0203	0.0203
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0075	0.4888	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0005	0.0051	0.0065
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0005	0.0051	0.0065
Echinococcus multilocularis	fmrfamide receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	neuropeptides capa receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	growth hormone secretagogue receptor	0.0005	0.0051	0.0051
Echinococcus granulosus	neuropeptides capa receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0005	0.0051	0.0193
Schistosoma mansoni	cpg binding protein	0.003	0.1764	0.1764
Mycobacterium tuberculosis	Probable oxidoreductase	0.0119	0.7894	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	G-protein coupled receptor	0.0005	0.0051	0.0065
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0016	0.084	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus multilocularis	neuropeptide Y receptor	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Schistosoma mansoni	hypothetical protein	0.0005	0.0051	0.0051
Echinococcus multilocularis	cpg binding protein	0.003	0.1764	0.3584
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.7074	0.8958
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.2946	0.6011
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.084	1
Echinococcus granulosus	neuropeptide Y receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0051	0.0051
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0075	0.4888	0.4888
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus granulosus	neuropeptide receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0051	0.0051
Echinococcus granulosus	dro:myosuppressin receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Trichomonas vaginalis	helicase, putative	0.0006	0.0161	0.029
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0005	0.0051	0.0065
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.2946	0.6011
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.084	0.1685
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0016	0.084	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0005	0.0051	0.0065
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0005	0.0051	0.0065
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Schistosoma mansoni	amine GPCR	0.0005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0543	0.1076
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0005	0.0051	0.0065
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Echinococcus multilocularis	serotonin receptor	0.0005	0.0051	0.0065
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0075	0.4888	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0016	0.084	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus multilocularis	neuropeptide receptor A26	0.0005	0.0051	0.0065
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0005	0.0051	0.0051
Onchocerca volvulus		0.0005	0.0051	0.0193
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0005	0.0051	0.0065
Schistosoma mansoni	opsin-like receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0161	0.029
Echinococcus multilocularis	neuropeptide s receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Echinococcus multilocularis	neuropeptide receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Brugia malayi	ORL1-like opioid receptor	0.0005	0.0051	0.0065
Brugia malayi	Thioredoxin reductase	0.0047	0.2946	0.6011
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0005	0.0051	0.0065
Echinococcus granulosus	serotonin receptor	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Leishmania major	trypanothione reductase	0.0047	0.2946	0.6011
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0075	0.4888	1
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Schistosoma mansoni	glutamate synthase	0.0004	0.0019	0.0019
Echinococcus granulosus	sex peptide receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	neuropeptide s receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	TYRA-2 protein	0.0005	0.0051	0.0065
Echinococcus granulosus	somatostatin receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.032	0.0618
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.084	0.1685
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4888	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.7074	0.8958
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Echinococcus multilocularis	neuropeptides capa receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0161	0.029
Echinococcus granulosus	tm gpcr rhodopsin	0.0005	0.0051	0.0065
Echinococcus multilocularis	sex peptide receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	amine GPCR	0.0005	0.0051	0.0051
Brugia malayi	glutathione reductase	0.0047	0.2946	0.6011
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0005	0.0051	0.0065
Brugia malayi	G-protein coupled receptor	0.0005	0.0051	0.0065
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0016	0.084	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0005	0.0051	0.0051
Onchocerca volvulus		0.0005	0.0051	0.0193
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0005	0.0051	0.0065
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0161	0.029
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1654	0.3358
Brugia malayi	G protein-coupled receptor	0.0005	0.0051	0.0065
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0005	0.0051	0.0065
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0016	0.084	0.1685
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.2946	0.6011
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0075	0.4888	1
Onchocerca volvulus		0.0028	0.1654	1
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0075	0.4888	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0005	0.0051	0.0065
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0016	0.084	0.1685
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0203	0.0376
Trypanosoma brucei	trypanothione reductase	0.0047	0.2946	0.6011
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0006	0.0161	0.029
Brugia malayi	Dopamine receptor protein 1	0.0005	0.0051	0.0065
Schistosoma mansoni	hypothetical protein	0.0005	0.0051	0.0051
Echinococcus granulosus	orexin receptor type 2	0.0005	0.0051	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus granulosus	tm gpcr rhodopsin	0.0005	0.0051	0.0065
Echinococcus multilocularis	serotonin receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0051	0.0051
Onchocerca volvulus		0.0005	0.0051	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0005	0.0051	0.0065
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0005	0.0051	0.0051
Echinococcus granulosus	tm gpcr rhodopsin	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Brugia malayi	Melatonin receptor type 1A	0.0005	0.0051	0.0065
Echinococcus multilocularis	neuropeptide Y receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	somatostatin receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	histamine h1 receptor	0.0005	0.0051	0.0051
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0005	0.0051	0.0065
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Onchocerca volvulus		0.0005	0.0051	0.0193
Loa Loa (eye worm)	melatonin receptor type 1A	0.0005	0.0051	0.0065
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0075	0.4888	1
Brugia malayi	Dopamine receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	7tm_1 domain containing protein	0.0005	0.0051	0.0065
Plasmodium falciparum	glutathione reductase	0.0047	0.2946	0.6011
Onchocerca volvulus		0.0005	0.0051	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus multilocularis	orexin receptor type 2	0.0005	0.0051	0.0065
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0107	0.7074	0.8958
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0016	0.084	0.1685
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	neuropeptide receptor A26	0.0005	0.0051	0.0065
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0005	0.0051	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Schistosoma mansoni	biogenic amine receptor	0.0005	0.0051	0.0051
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.032	0.0618
Onchocerca volvulus		0.0005	0.0051	0.0193
Echinococcus granulosus	biogenic amine 5HT receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus granulosus	G protein coupled receptor 139	0.0005	0.0051	0.0065
Echinococcus multilocularis	g-protein coupled receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	sulfide quinone reductase	0.0004	0.0019	0.0019
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.3819	0.3819
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Echinococcus granulosus	neuropeptide Y receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	amine GPCR	0.0005	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0016	0.084	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0313	0.0603
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.084	1
Plasmodium vivax	glutathione reductase, putative	0.0047	0.2946	0.6011
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.084	0.1685
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0005	0.0051	0.0051
Echinococcus granulosus	fmrfamide receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0161	0.029
Brugia malayi	Serotonin receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.7074	0.8958
Echinococcus granulosus	g-protein coupled receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Brugia malayi	AKH receptor	0.0005	0.0051	0.0065
Echinococcus multilocularis	allatostatin A receptor	0.0005	0.0051	0.0065
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.7074	0.8958
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0119	0.7894	1
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0005	0.0051	0.0065
Echinococcus multilocularis	G protein coupled receptor 139	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus granulosus	g protein coupled receptor	0.0005	0.0051	0.0065
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0005	0.0051	0.0051
Schistosoma mansoni	hypothetical protein	0.0004	0.0019	0.0019
Brugia malayi	larval opioid receptor	0.0005	0.0051	0.0065
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0005	0.0051	0.0065
Echinococcus granulosus	neuropeptides capa receptor	0.0005	0.0051	0.0065
Plasmodium falciparum	thioredoxin reductase	0.0047	0.2946	0.6011
Brugia malayi	Dopamine receptor protein 2	0.0005	0.0051	0.0065
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0005	0.0051	0.0051
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.084	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0203	0.0376
Brugia malayi	G-protein coupled receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0075	0.4888	1
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.084	0.1685
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0005	0.0051	0.0065
Brugia malayi	follicle stimulating hormone receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0006	0.0161	0.029
Trichomonas vaginalis	conserved hypothetical protein	0.0006	0.0161	0.029
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0075	0.4888	1
Echinococcus multilocularis	fmrfamide receptor	0.0005	0.0051	0.0065
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4888	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus multilocularis	g protein coupled receptor	0.0005	0.0051	0.0065
Trypanosoma cruzi	trypanothione reductase, putative	0.0016	0.084	0.1685
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0075	0.4888	1
Schistosoma mansoni	neuropeptide F-like receptor	0.0005	0.0051	0.0051
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0005	0.0051	0.0051
Brugia malayi	RE15519p	0.0005	0.0051	0.0065
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0075	0.4888	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0005	0.0051	0.0065
Toxoplasma gondii	NADPH-glutathione reductase	0.0016	0.084	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0016	0.084	0.1685
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0051	0.0051
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0005	0.0051	0.0193
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0075	0.4888	1
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0051	0.0051
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.084	0.084
Echinococcus granulosus	allatostatin A receptor	0.0005	0.0051	0.0065
Onchocerca volvulus		0.0005	0.0051	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0005	0.0051	0.0051
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0005	0.0051	0.0051
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0016	0.084	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0005	0.0051	0.0065
Loa Loa (eye worm)	neuropeptide F receptor	0.0005	0.0051	0.0065
Brugia malayi	hypothetical protein	0.0005	0.0051	0.0065
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.2946	0.6011
Schistosoma mansoni	amine GPCR	0.0005	0.0051	0.0051
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.3381	0.6906
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	cpg binding protein	0.0028	0.1654	0.1654
Loa Loa (eye worm)	hypothetical protein	0.0005	0.0051	0.0065
Schistosoma mansoni	neuropeptide receptor	0.0005	0.0051	0.0051
Plasmodium falciparum	thioredoxin reductase	0.0016	0.084	0.1685
Echinococcus granulosus	7TM GPCR rhodopsin	0.0005	0.0051	0.0065

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 2.75 nM	Displacement [3H]Arg human recombinant Vasopressin V1a receptor	ChEMBL.	20471258
Ki (binding)	> 2500 nM	Displacement [3H]Arg human recombinant Vasopressin V2 receptor	ChEMBL.	20471258

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: CHEMBL1086053

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1114557