TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 399.846 | Formula: C21H19ClFN3O2
H donors: 0 H acceptors: 2 LogP: 4.51 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1oc(c(n1)c1ccccc1F)C(=O)N1CCN(CC1)c1cccc(c1)Cl
InChi: 1S/C21H19ClFN3O2/c1-14-24-19(17-7-2-3-8-18(17)23)20(28-14)21(27)26-11-9-25(10-12-26)16-6-4-5-15(22)13-16/h2-8,13H,9-12H2,1H3
InChiKey: XLNYLVIXDXBPHW-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

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	0.0283	0.1111	1
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0065	0.02	0.8655
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.023	0.0573
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0283	0.1111	1
Brugia malayi	G-protein coupled receptor	0.0283	0.1111	1
Echinococcus granulosus	neuropeptide receptor A26	0.0732	0.2987	1
Loa Loa (eye worm)	TYRA-2 protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Onchocerca volvulus		0.0283	0.1111	1
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0283	0.1111	0.3705
Onchocerca volvulus		0.0065	0.02	0.1392
Mycobacterium leprae	Probable lipase LipE	0.0072	0.023	0.0081
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0053	0.012
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0065	0.02	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0115	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Brugia malayi	beta-lactamase family protein	0.0072	0.023	0.2074
Echinococcus multilocularis	neuropeptide receptor	0.0283	0.1111	0.1105
Mycobacterium ulcerans	beta-lactamase	0.0072	0.023	0.0573
Brugia malayi	exodeoxyribonuclease III family protein	0.0018	0.0006	0.0054
Echinococcus multilocularis	neuropeptide receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	allatostatin A receptor	0.0283	0.1111	0.3705
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.0955	0.3922	1
Loa Loa (eye worm)	retinol dehydrogenase 12	0.0065	0.02	0.1758
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Brugia malayi	GnHR receptor homolog	0.0283	0.1111	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0283	0.1111	0.83
Toxoplasma gondii	2,4-dienoyl CoA reductase 2, peroxisomal family protein	0.0065	0.02	0.0496
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0053	0.0353
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0053	0.0158
Schistosoma mansoni	neuropeptide receptor	0.0283	0.1111	0.83
Echinococcus granulosus	g protein coupled receptor	0.0283	0.1111	0.3705
Brugia malayi	Pre-SET motif family protein	0.0205	0.0788	0.7094
Echinococcus granulosus	3 oxoacyl acyl carrier protein reductase	0.0065	0.02	0.0651
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Mycobacterium tuberculosis	Conserved protein	0.0072	0.023	0.0573
Brugia malayi	G-protein coupled receptor	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0115	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0065	0.02	0.1758
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.023	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	G-protein coupled receptor	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.023	0.2031
Trypanosoma cruzi	beta-ketoacyl-ACP reductase	0.0065	0.02	0.8655
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0283	0.1111	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0038	0.1449
Onchocerca volvulus		0.0283	0.1111	1
Echinococcus multilocularis	neuropeptides capa receptor	0.0283	0.1111	0.1105
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0283	0.1111	1
Schistosoma mansoni	amine GPCR	0.0283	0.1111	0.83
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0283	0.1111	0.1105
Schistosoma mansoni	neuropeptide F-like receptor	0.0283	0.1111	0.83
Toxoplasma gondii	LsmAD domain-containing protein	0.0026	0.0038	0.0083
Brugia malayi	larval opioid receptor	0.0283	0.1111	1
Brugia malayi	Dopamine receptor protein 2	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	serotonin receptor	0.0283	0.1111	0.1105
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0283	0.1111	0.1105
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0065	0.02	0.0496
Echinococcus multilocularis	3 oxoacyl acyl carrier protein reductase	0.0065	0.02	0.0194
Onchocerca volvulus		0.0283	0.1111	1
Echinococcus granulosus	neuropeptides capa receptor	0.0283	0.1111	0.3705
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0115	0.0366
Brugia malayi	RE15519p	0.0283	0.1111	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	g-protein coupled receptor	0.0283	0.1111	0.3705
Schistosoma mansoni	hypothetical protein	0.0283	0.1111	0.83
Loa Loa (eye worm)	melatonin receptor type 1A	0.0283	0.1111	1
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	neuropeptide receptor	0.0283	0.1111	0.3705
Onchocerca volvulus		0.0283	0.1111	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0283	0.1111	1
Onchocerca volvulus		0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Schistosoma mansoni	biogenic amine receptor	0.0283	0.1111	0.83
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0115	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0283	0.1111	0.83
Mycobacterium ulcerans	oxidoreductase	0.0065	0.02	0.0496
Echinococcus multilocularis	somatostatin receptor	0.0283	0.1111	0.1105
Onchocerca volvulus		0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	neuropeptide Y receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0018	0.0006	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0038	0.1449
Brugia malayi	Dopamine receptor protein 1	0.0283	0.1111	1
Schistosoma mansoni	histamine h1 receptor	0.0283	0.1111	0.83
Brugia malayi	G protein-coupled receptor	0.0283	0.1111	1
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0065	0.02	0.0496
Echinococcus multilocularis	neuropeptide receptor A26	0.0732	0.2987	0.2983
Loa Loa (eye worm)	hypothetical protein	0.0072	0.023	0.2031
Echinococcus multilocularis	geminin	0.0337	0.1337	0.1332
Mycobacterium tuberculosis	Probable 3-oxoacyl-[acyl-carrier protein] reductase FabG2 (3-ketoacyl-acyl carrier protein reductase)	0.0065	0.02	0.0496
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0065	0.02	0.0496
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0283	0.1111	0.83
Brugia malayi	putative neuropeptide receptor NPR1	0.0283	0.1111	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Echinococcus multilocularis	neuropeptides capa receptor	0.0283	0.1111	0.1105
Schistosoma mansoni	amine GPCR	0.0283	0.1111	0.83
Onchocerca volvulus		0.0283	0.1111	1
Echinococcus multilocularis	g protein coupled receptor	0.0283	0.1111	0.1105
Onchocerca volvulus		0.0283	0.1111	1
Toxoplasma gondii	short chain dehydrogenase family protein, putative	0.0065	0.02	0.0496
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0115	0.0819
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.023	0.2031
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.023	0.0081
Echinococcus multilocularis	g protein coupled receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	tm gpcr rhodopsin	0.0283	0.1111	0.3705
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0283	0.1111	0.83
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0115	0.0987
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0065	0.02	0.0496
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Echinococcus multilocularis	neuropeptide Y receptor	0.0283	0.1111	0.1105
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0053	0.0353
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0283	0.1111	1
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0018	0.0006	0.5
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0283	0.1111	0.3705
Mycobacterium tuberculosis	Conserved protein	0.0072	0.023	0.0573
Toxoplasma gondii	3-ketoacyl-(acyl-carrier-protein) reductase	0.0065	0.02	0.0496
Schistosoma mansoni	hypothetical protein	0.0283	0.1111	0.83
Schistosoma mansoni	neuropeptide F-like receptor	0.0283	0.1111	0.83
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0283	0.1111	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0048	0.0142
Echinococcus multilocularis	fmrfamide receptor	0.0283	0.1111	0.1105
Trichomonas vaginalis	esterase, putative	0.0072	0.023	0.0573
Onchocerca volvulus		0.0065	0.02	0.1392
Schistosoma mansoni	hypothetical protein	0.0283	0.1111	0.83
Mycobacterium ulcerans	3-alpha-hydroxysteroid dehydrogenase	0.0065	0.02	0.0496
Echinococcus granulosus	g protein coupled receptor	0.0283	0.1111	0.3705
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.023	0.0573
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] reductase, putative	0.0065	0.02	0.0496
Schistosoma mansoni	myosin xvIII	0.0283	0.1111	0.83
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0205	0.0788	0.7079
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0283	0.1111	0.83
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.0955	0.3922	1
Brugia malayi	Serotonin receptor	0.0283	0.1111	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0283	0.1111	0.1105
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0283	0.1111	0.1105
Brugia malayi	hypothetical protein	0.0026	0.0038	0.0347
Echinococcus granulosus	orexin receptor type 2	0.0283	0.1111	0.3705
Toxoplasma gondii	ABC1 family protein	0.0072	0.023	0.0573
Entamoeba histolytica	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0065	0.02	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	neuropeptide receptor	0.0283	0.1111	0.3705
Schistosoma mansoni	neuropeptide receptor	0.0283	0.1111	0.83
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0065	0.02	0.8655
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0115	0.0819
Plasmodium falciparum	enoyl-acyl carrier reductase	0.0955	0.3922	1
Schistosoma mansoni	hypothetical protein	0.0337	0.1337	1
Onchocerca volvulus		0.0283	0.1111	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Mycobacterium tuberculosis	Possible oxidoreductase	0.0065	0.02	0.0496
Onchocerca volvulus		0.0283	0.1111	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Onchocerca volvulus		0.0283	0.1111	1
Trichomonas vaginalis	hypothetical protein	0.0955	0.3922	1
Onchocerca volvulus		0.0283	0.1111	1
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0283	0.1111	0.83
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0283	0.1111	0.1105
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Echinococcus multilocularis	g protein coupled receptor	0.0283	0.1111	0.1105
Brugia malayi	Dopamine receptor	0.0283	0.1111	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0283	0.1111	1
Brugia malayi	Melatonin receptor type 1A	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	sex peptide receptor	0.0283	0.1111	0.1105
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0283	0.1111	0.1105
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.0955	0.3922	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0065	0.02	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Trichomonas vaginalis	set domain proteins, putative	0.0234	0.0907	0.23
Echinococcus multilocularis	neuropeptide s receptor	0.0732	0.2987	0.2983
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0038	0.1449
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0065	0.02	0.0496
Brugia malayi	neuropeptide F receptor	0.0283	0.1111	1
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Brugia malayi	Serotonin receptor	0.0283	0.1111	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.023	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0115	0.1035
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0072	0.023	0.2031
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.023	0.0225
Plasmodium vivax	SET domain protein, putative	0.0029	0.0053	0.012
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0283	0.1111	0.1105
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0283	0.1111	0.1105
Brugia malayi	sulfakinin receptor protein	0.0283	0.1111	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0283	0.1111	0.3705
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0053	0.0047
Schistosoma mansoni	opsin-like receptor	0.0283	0.1111	0.83
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0283	0.1111	1
Trypanosoma brucei	oxidoreductase-like protein	0.0065	0.02	0.8655
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.023	0.2074
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0038	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Mycobacterium tuberculosis	Possible oxidoreductase	0.0065	0.02	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0283	0.1111	0.1105
Echinococcus granulosus	biogenic amine 5HT receptor	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Mycobacterium ulcerans	20-beta-hydroxysteroid dehydrogenase FabG3	0.0065	0.02	0.0496
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.0955	0.3922	1
Trypanosoma brucei	beta-ketoacyl-ACP reductase	0.0065	0.02	0.8655
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0283	0.1111	0.83
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.046	0.185	0.4709
Loa Loa (eye worm)	oxidoreductase	0.0065	0.02	0.1758
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Schistosoma mansoni	neuropeptide receptor	0.0283	0.1111	0.83
Brugia malayi	putative neuropeptide receptor	0.0283	0.1111	1
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0283	0.1111	0.83
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.023	0.1686
Onchocerca volvulus		0.0072	0.023	0.1677
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0053	0.0047
Schistosoma mansoni	biogenic amine receptor	0.0283	0.1111	0.83
Echinococcus multilocularis	orexin receptor type 2	0.0283	0.1111	0.1105
Brugia malayi	Pre-SET motif family protein	0.0029	0.0053	0.0477
Echinococcus granulosus	serotonin receptor	0.0283	0.1111	0.3705
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0283	0.1111	0.1105
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Echinococcus multilocularis	G protein coupled receptor 139	0.0283	0.1111	0.1105
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Mycobacterium ulcerans	3-oxoacyl-ACP reductase	0.0065	0.02	0.0496
Brugia malayi	follicle stimulating hormone receptor	0.0283	0.1111	1
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0283	0.1111	0.3705
Echinococcus granulosus	fmrfamide receptor	0.0283	0.1111	0.3705
Schistosoma mansoni	biogenic amine receptor	0.0283	0.1111	0.83
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	somatostatin receptor	0.0283	0.1111	0.3705
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.023	1
Onchocerca volvulus		0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.023	0.0573
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0283	0.1111	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0283	0.1111	0.3705
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0053	0.0353
Brugia malayi	beta-lactamase	0.0072	0.023	0.2074
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	7TM GPCR rhodopsin	0.0283	0.1111	0.3705
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.023	0.0573
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0283	0.1111	0.83
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0283	0.1111	0.83
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0038	0.1449
Leishmania major	3-oxoacyl-ACP reductase, putative	0.0065	0.02	0.8655
Echinococcus multilocularis	dro:myosuppressin receptor	0.0283	0.1111	0.1105
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.0955	0.3922	1
Schistosoma mansoni	hypothetical protein	0.0283	0.1111	0.83
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0283	0.1111	1
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Echinococcus granulosus	tm gpcr rhodopsin	0.0283	0.1111	0.3705
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Brugia malayi	AKH receptor	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.023	0.2031
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Schistosoma mansoni	opsin-like receptor	0.0283	0.1111	0.83
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.0955	0.3922	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	geminin	0.0337	0.1337	0.4464
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0283	0.1111	0.83
Echinococcus granulosus	sex peptide receptor	0.0283	0.1111	0.3705
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.023	0.0753
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0283	0.1111	0.83
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0283	0.1111	1
Leishmania major	hypothetical protein, conserved	0.0072	0.023	1
Plasmodium falciparum	3-oxoacyl-[acyl-carrier-protein] reductase	0.0065	0.02	0.0496
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0065	0.02	0.0496
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Echinococcus multilocularis	fmrfamide receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	hypothetical protein	0.0283	0.1111	0.3705
Mycobacterium tuberculosis	Conserved protein	0.0072	0.023	0.0573
Echinococcus granulosus	neuropeptides capa receptor	0.0283	0.1111	0.3705
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0283	0.1111	0.83
Loa Loa (eye worm)	hypothetical protein	0.0072	0.023	0.2031
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.023	0.0573
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0283	0.1111	0.3705
Echinococcus multilocularis	g-protein coupled receptor	0.0283	0.1111	0.1105
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	g protein coupled receptor	0.0283	0.1111	0.3705
Trypanosoma brucei	pteridine reductase 1	0.0065	0.02	0.8655
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0283	0.1111	0.83
Echinococcus granulosus	G protein coupled receptor 139	0.0283	0.1111	0.3705
Echinococcus granulosus	neuropeptide Y receptor	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0053	0.0425
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0283	0.1111	0.1105
Schistosoma mansoni	dihydropteridine reductase	0.0065	0.02	0.1459
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0065	0.02	0.1803
Schistosoma mansoni	hypothetical protein	0.0337	0.1337	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Echinococcus granulosus	rhodopsin orphan GPCR	0.0283	0.1111	0.3705
Brugia malayi	ORL1-like opioid receptor	0.0283	0.1111	1
Brugia malayi	beta-lactamase family protein	0.0072	0.023	0.2074
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.023	0.0573
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0115	0.0109
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0283	0.1111	0.83
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0283	0.1111	0.83
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0072	0.023	0.2031
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.023	1
Echinococcus multilocularis	allatostatin A receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0283	0.1111	0.3705
Mycobacterium ulcerans	3-ketoacyl-ACP reductase	0.0065	0.02	0.0496
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.023	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus granulosus	neuropeptide s receptor	0.0732	0.2987	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0065	0.02	0.1758
Onchocerca volvulus		0.0283	0.1111	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Brugia malayi	G protein-coupled receptor F59B2.13	0.0283	0.1111	1
Onchocerca volvulus		0.0283	0.1111	1
Mycobacterium ulcerans	lipase LipD	0.0072	0.023	0.0573
Mycobacterium tuberculosis	Possible 20-beta-hydroxysteroid dehydrogenase FabG3 (cortisone reductase) ((R)-20-hydroxysteroid dehydrogenase)	0.0065	0.02	0.0496
Schistosoma mansoni	neuropeptide receptor	0.0283	0.1111	0.83
Schistosoma mansoni	amine GPCR	0.0283	0.1111	0.83
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Schistosoma mansoni	adenoreceptor	0.0283	0.1111	0.83
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	beta-lactamase	0.0072	0.023	0.2031
Schistosoma mansoni	neuropeptide f receptor 76f	0.0283	0.1111	0.83
Onchocerca volvulus		0.0283	0.1111	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0283	0.1111	1
Mycobacterium ulcerans	hypothetical protein	0.0072	0.023	0.0573
Schistosoma mansoni	opsin-like receptor	0.0283	0.1111	0.83
Leishmania major	dehydrogenase/oxidoreductase-like protein	0.0065	0.02	0.8655
Plasmodium vivax	ataxin-2 like protein, putative	0.0026	0.0038	0.0083
Schistosoma mansoni	3-oxoacyl-[ACP] reductase	0.0065	0.02	0.1459
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.023	0.0573
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.023	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0283	0.1111	1
Mycobacterium ulcerans	short chain dehydrogenase	0.0065	0.02	0.0496
Echinococcus granulosus	tm gpcr rhodopsin	0.0283	0.1111	0.3705
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0283	0.1111	0.1105
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Onchocerca volvulus		0.0072	0.023	0.1677
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0283	0.1111	1
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0065	0.02	0.8655
Mycobacterium tuberculosis	Probable dehydrogenase/reductase	0.0065	0.02	0.0496
Echinococcus granulosus	neuropeptide Y receptor	0.0283	0.1111	0.3705
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.023	0.0573
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.023	0.1686
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0283	0.1111	0.83
Onchocerca volvulus		0.0283	0.1111	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.0955	0.3922	1
Onchocerca volvulus		0.0234	0.0907	0.807
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0283	0.1111	0.1105
Trichomonas vaginalis	D-aminoacylase, putative	0.0072	0.023	0.0573
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0283	0.1111	0.1105
Schistosoma mansoni	amine GPCR	0.0283	0.1111	0.83
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0283	0.1111	1
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0283	0.1111	0.3705
Plasmodium falciparum	ataxin-2 like protein, putative	0.0026	0.0038	0.0083
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0053	0.0353
Echinococcus granulosus	7tm_1 domain containing protein	0.0283	0.1111	0.3705
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.023	0.0573
Loa Loa (eye worm)	G-protein coupled receptor	0.0283	0.1111	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0283	0.1111	0.3705
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0283	0.1111	0.83
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0072	0.023	0.0573
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0283	0.1111	0.1105
Schistosoma mansoni	amine GPCR	0.0283	0.1111	0.83
Loa Loa (eye worm)	hypothetical protein	0.0283	0.1111	1
Leishmania major	oxidoreductase-like protein	0.0065	0.02	0.8655
Onchocerca volvulus		0.0072	0.023	0.1677
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0065	0.02	0.0496
Leishmania major	pteridine reductase 1	0.0065	0.02	0.8655
Brugia malayi	hypothetical protein	0.0283	0.1111	1
Brugia malayi	neuropeptide F receptor	0.0283	0.1111	1
Echinococcus multilocularis	serotonin receptor	0.0283	0.1111	0.1105
Echinococcus granulosus	dro:myosuppressin receptor	0.0283	0.1111	0.3705
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0294
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.023	0.0573

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 39.4 nM	Cytotoxicity against human HL60 cells assessed as growth inhibition after 72 hrs by MTT assay	ChEMBL.	24160376

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	24160376

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: CHEMBL3086571

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1844906