TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 490.445 | Formula: C24H25Cl2N3O2S
H donors: 1 H acceptors: 2 LogP: 6.5 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1sc(nc1N1CCC(CC1)NCc1ccc(cc1Cl)Cl)c1ccccc1
InChi: 1S/C24H25Cl2N3O2S/c1-2-31-24(30)21-22(28-23(32-21)16-6-4-3-5-7-16)29-12-10-19(11-13-29)27-15-17-8-9-18(25)14-20(17)26/h3-9,14,19,27H,2,10-13,15H2,1H3
InChiKey: GOLNMRPYJIZJJJ-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
Schistosoma mansoni	biogenic amine receptor	0.0162	0.0896	0.2767
Echinococcus multilocularis	neuropeptides capa receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	G protein coupled receptor 139	0.0162	0.0896	0.2838
Echinococcus multilocularis	neuropeptide receptor A26	0.0162	0.0896	0.2838
Echinococcus granulosus	biogenic amine 5HT receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0162	0.0896	0.2767
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Onchocerca volvulus		0.0162	0.0896	0.0546
Echinococcus multilocularis	g protein coupled receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	ShTK domain-containing protein	0.0082	0.037	0.037
Schistosoma mansoni	amine GPCR	0.0162	0.0896	0.2767
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Wolbachia endosymbiont of Brugia malayi	IMP dehydrogenase	0.0055	0.0197	0.5
Echinococcus granulosus	sex peptide receptor	0.0162	0.0896	0.2838
Brugia malayi	RE15519p	0.0162	0.0896	0.0714
Echinococcus granulosus	7tm_1 domain containing protein	0.0162	0.0896	0.2838
Loa Loa (eye worm)	tyrosinase 1	0.0082	0.037	0.037
Onchocerca volvulus		0.0162	0.0896	0.0546
Echinococcus granulosus	neuropeptides capa receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.003	0.0028	0.0089
Loa Loa (eye worm)	neuropeptide F receptor	0.0162	0.0896	0.0896
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0205	0.1173	0.5
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0036	0.0073	0.023
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0162	0.0896	0.2767
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	opsin-like receptor	0.0162	0.0896	0.2767
Brugia malayi	G protein-coupled receptor	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0054	0.0189	0.0599
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0162	0.0896	0.2767
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0205	0.1173	0.0997
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.003	0.0028	0.0089
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0205	0.1173	1
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0162	0.0896	0.0896
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0162	0.0896	0.0714
Echinococcus granulosus	tm gpcr rhodopsin	0.0162	0.0896	0.2838
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0508	0.3157	0.302
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0205	0.1173	1
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0162	0.0896	0.2838
Echinococcus granulosus	g protein coupled receptor	0.0162	0.0896	0.2838
Brugia malayi	follicle stimulating hormone receptor	0.0162	0.0896	0.0714
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0162	0.0896	0.2767
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0205	0.1173	1
Mycobacterium ulcerans	inosine 5'-monophosphate dehydrogenase	0.0055	0.0197	0.1629
Echinococcus granulosus	tm gpcr rhodopsin	0.0162	0.0896	0.2838
Echinococcus multilocularis	dro:myosuppressin receptor	0.0162	0.0896	0.2838
Onchocerca volvulus		0.1556	1	1
Echinococcus multilocularis	neuropeptide receptor	0.0162	0.0896	0.2838
Brugia malayi	ShTK domain containing protein	0.0082	0.037	0.0178
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0142	0.0761	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Loa Loa (eye worm)	neuropeptide F receptor	0.0162	0.0896	0.0896
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0162	0.0896	0.2838
Brugia malayi	Melatonin receptor type 1A	0.0162	0.0896	0.0714
Schistosoma mansoni	inosine-5-monophosphate dehydrogenase	0.0055	0.0197	0.053
Echinococcus granulosus	neuropeptide Y receptor	0.0162	0.0896	0.2838
Brugia malayi	GnHR receptor homolog	0.0162	0.0896	0.0714
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0162	0.0896	0.0714
Echinococcus multilocularis	allatostatin A receptor	0.0162	0.0896	0.2838
Brugia malayi	G-protein coupled receptor	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus granulosus	hypothetical protein	0.0162	0.0896	0.2838
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0162	0.0896	0.2838
Echinococcus multilocularis	somatostatin receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0162	0.0896	0.2838
Onchocerca volvulus		0.0162	0.0896	0.0546
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0162	0.0896	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Onchocerca volvulus		0.0162	0.0896	0.0546
Schistosoma mansoni	opsin-like receptor	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0063	0.0247	0.0052
Schistosoma mansoni	growth hormone secretagogue receptor	0.0162	0.0896	0.2767
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0054	0.0189	0.0599
Brugia malayi	Common central domain of tyrosinase family protein	0.0082	0.037	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Mycobacterium ulcerans	inosine 5-monophosphate dehydrogenase	0.0052	0.0175	0.1445
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	neuropeptide receptor	0.0162	0.0896	0.2767
Echinococcus multilocularis	glutamate receptor 2	0.005	0.0161	0.051
Brugia malayi	neuropeptide F receptor	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus granulosus	neuropeptide FF receptor 2	0.0162	0.0896	0.2838
Onchocerca volvulus		0.0162	0.0896	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus granulosus	somatostatin receptor	0.0162	0.0896	0.2838
Schistosoma mansoni	neuropeptide receptor	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Loa Loa (eye worm)	glutamate receptor 2	0.003	0.0031	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Onchocerca volvulus		0.0162	0.0896	0.0546
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	inosine 5' monophosphate dehydrogenase 2	0.0055	0.0197	0.0623
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Onchocerca volvulus		0.0162	0.0896	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.003	0.0031	0.0098
Echinococcus multilocularis	neuropeptide s receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	g-protein coupled receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	glutamate NMDA receptor subunit	0.003	0.0031	0.0098
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0162	0.0896	0.2838
Schistosoma mansoni	adenoreceptor	0.0162	0.0896	0.2767
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Brugia malayi	neuropeptide F receptor	0.0162	0.0896	0.0714
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	myosin xvIII	0.0162	0.0896	0.2767
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0162	0.0896	0.2838
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0508	0.3157	1
Schistosoma mansoni	hypothetical protein	0.0162	0.0896	0.2767
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Echinococcus multilocularis	neuropeptides capa receptor	0.0162	0.0896	0.2838
Onchocerca volvulus		0.0162	0.0896	0.0546
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	neuropeptide f receptor 76f	0.0162	0.0896	0.2767
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0082	0.037	0.0178
Echinococcus multilocularis	G protein coupled receptor 139	0.0162	0.0896	0.2838
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Onchocerca volvulus		0.0162	0.0896	0.0546
Onchocerca volvulus		0.0162	0.0896	0.0546
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0162	0.0896	0.0714
Schistosoma mansoni	glutamate receptor NMDA	0.0036	0.0068	0.0119
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	neuropeptide receptor	0.0162	0.0896	0.2767
Echinococcus multilocularis	serotonin receptor	0.0162	0.0896	0.2838
Schistosoma mansoni	serine/threonine protein kinase	0.0236	0.1375	0.4299
Schistosoma mansoni	biogenic amine receptor	0.0162	0.0896	0.2767
Echinococcus granulosus	glutamate receptor 2	0.0061	0.0234	0.074
Loa Loa (eye worm)	hypothetical protein	0.0082	0.037	0.037
Brugia malayi	Protein kinase domain containing protein	0.0236	0.1375	0.1202
Echinococcus multilocularis	sex peptide receptor	0.0162	0.0896	0.2838
Onchocerca volvulus		0.0205	0.1173	0.0834
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Loa Loa (eye worm)	IMP dehydrogenase 1	0.0055	0.0197	0.0197
Onchocerca volvulus		0.0162	0.0896	0.0546
Loa Loa (eye worm)	G-protein coupled receptor	0.0162	0.0896	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus granulosus	glutamate receptor 2	0.005	0.0161	0.051
Echinococcus granulosus	biogenic amine 5HT receptor	0.0162	0.0896	0.2838
Plasmodium falciparum	inosine-5'-monophosphate dehydrogenase	0.0052	0.0175	0.5
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0162	0.0896	0.2767
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0162	0.0896	0.0714
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0508	0.3157	0.3157
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0082	0.037	0.0178
Onchocerca volvulus		0.0162	0.0896	0.0546
Schistosoma mansoni	neuropeptide receptor	0.0162	0.0896	0.2767
Brugia malayi	Dopamine receptor protein 2	0.0162	0.0896	0.0714
Schistosoma mansoni	hypothetical protein	0.0162	0.0896	0.2767
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0082	0.037	0.037
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Leishmania major	hypothetical protein, conserved	0.0063	0.0247	0.0052
Echinococcus granulosus	neuropeptides capa receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Leishmania major	glutathione-S-transferase/glutaredoxin, putative	0.1556	1	1
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0162	0.0896	0.0546
Trypanosoma cruzi	glutathione-S-transferase/glutaredoxin, putative	0.1556	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0205	0.1173	1
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0162	0.0896	0.0896
Loa Loa (eye worm)	TYRA-2 protein	0.0162	0.0896	0.0896
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0036	0.0073	0.023
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Brugia malayi	larval opioid receptor	0.0162	0.0896	0.0714
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0054	0.0189	0.0599
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0162	0.0896	0.2767
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0508	0.3157	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.1556	1	1
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Trypanosoma cruzi	glutathione-S-transferase/glutaredoxin, putative	0.1556	1	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0162	0.0896	0.2767
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0205	0.1173	1
Schistosoma mansoni	tyrosinase precursor	0.0082	0.037	0.1086
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0247	0.0052
Echinococcus multilocularis	fmrfamide receptor	0.0162	0.0896	0.2838
Schistosoma mansoni	biogenic amine receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	protein tyrosine phosphatase non-receptor type nt1	0.0508	0.3157	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Schistosoma mansoni	neuropeptide F-like receptor	0.0162	0.0896	0.2767
Echinococcus granulosus	orexin receptor type 2	0.0162	0.0896	0.2838
Echinococcus granulosus	neuropeptide Y receptor	0.0162	0.0896	0.2838
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Brugia malayi	Dopamine receptor protein 1	0.0162	0.0896	0.0714
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Plasmodium vivax	inosine-5'-monophosphate dehydrogenase, putative	0.0052	0.0175	0.5
Onchocerca volvulus		0.0162	0.0896	0.0546
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0162	0.0896	0.2838
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0082	0.037	0.0178
Schistosoma mansoni	amine GPCR	0.0162	0.0896	0.2767
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0054	0.0189	0.0599
Trypanosoma cruzi	hypothetical protein, conserved	0.0063	0.0247	0.0052
Schistosoma mansoni	opsin-like receptor	0.0162	0.0896	0.2767
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0162	0.0896	0.2767
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0082	0.037	0.0178
Echinococcus granulosus	dro:myosuppressin receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	neuropeptide Y receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0162	0.0896	0.2838
Schistosoma mansoni	hypothetical protein	0.0162	0.0896	0.2767
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0054	0.0189	0.0599
Schistosoma mansoni	histamine h1 receptor	0.0162	0.0896	0.2767
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0205	0.1173	0.5
Brugia malayi	ORL1-like opioid receptor	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0162	0.0896	0.2767
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0205	0.1173	1
Brugia malayi	putative neuropeptide receptor	0.0162	0.0896	0.0714
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0061	0.0234	0.074
Echinococcus granulosus	neuropeptide receptor A26	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0205	0.1173	0.1173
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0162	0.0896	0.0896
Echinococcus granulosus	7TM GPCR rhodopsin	0.0162	0.0896	0.2838
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	glutamate receptor kainate	0.0049	0.0152	0.0387
Schistosoma mansoni	tyrosinase precursor	0.0082	0.037	0.1086
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0162	0.0896	0.2838
Toxoplasma gondii	prostaglandin-E synthase	0.1556	1	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	g protein coupled receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	g protein coupled receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	neuropeptide receptor	0.0162	0.0896	0.2838
Brugia malayi	Serotonin receptor	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus granulosus	neuropeptide receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	serotonin receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	g-protein coupled receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Echinococcus granulosus	inosine 5' monophosphate dehydrogenase 2	0.0055	0.0197	0.0623
Brugia malayi	putative neuropeptide receptor NPR1	0.0162	0.0896	0.0714
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.003	0.0028	0.0089
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0162	0.0896	0.2767
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.003	0.0028	0.0089
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Echinococcus granulosus	allatostatin A receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0162	0.0896	0.0896
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0054	0.0189	0.0599
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Schistosoma mansoni	hypothetical protein	0.0162	0.0896	0.2767
Echinococcus granulosus	neuropeptide s receptor	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Loa Loa (eye worm)	CAMK/CAMKL/CHK1 protein kinase	0.0236	0.1375	0.1375
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0162	0.0896	0.2767
Brugia malayi	Serotonin receptor	0.0162	0.0896	0.0714
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0205	0.1173	1
Brugia malayi	Dopamine receptor	0.0162	0.0896	0.0714
Brugia malayi	G protein-coupled receptor F59B2.13	0.0162	0.0896	0.0714
Trypanosoma brucei	Prostaglandin E synthase	0.1556	1	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0162	0.0896	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	glutamate receptor 2	0.0055	0.0196	0.0622
Echinococcus granulosus	fmrfamide receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0162	0.0896	0.2838
Loa Loa (eye worm)	G-protein coupled receptor	0.0162	0.0896	0.0896
Schistosoma mansoni	amine GPCR	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Onchocerca volvulus		0.0162	0.0896	0.0546
Loa Loa (eye worm)	ShTK domain-containing protein	0.0082	0.037	0.037
Schistosoma mansoni	amine GPCR	0.0162	0.0896	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	NMDA receptor	0.003	0.0028	0.0089
Mycobacterium tuberculosis	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase	0.0055	0.0197	0.2336
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Onchocerca volvulus		0.0162	0.0896	0.0546
Echinococcus multilocularis	neuropeptide Y receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	g protein coupled receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0061	0.0234	0.074
Onchocerca volvulus		0.0162	0.0896	0.0546
Onchocerca volvulus		0.0162	0.0896	0.0546
Brugia malayi	AKH receptor	0.0162	0.0896	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Schistosoma mansoni	neuropeptide F-like receptor	0.0162	0.0896	0.2767
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0205	0.1173	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0162	0.0896	0.2838
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0162	0.0896	0.2838
Echinococcus granulosus	serotonin receptor	0.0162	0.0896	0.2838
Echinococcus multilocularis	fmrfamide receptor	0.0162	0.0896	0.2838
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena	0.0029	0.0025	0.0954
Brugia malayi	hypothetical protein	0.0162	0.0896	0.0714
Schistosoma mansoni	glutamate receptor kainate	0.0049	0.0152	0.0387
Loa Loa (eye worm)	melatonin receptor type 1A	0.0162	0.0896	0.0896
Loa Loa (eye worm)	glutamate receptor 1	0.0055	0.0196	0.0196
Echinococcus multilocularis	neuropeptide receptor	0.0162	0.0896	0.2838
Echinococcus granulosus	tm gpcr rhodopsin	0.0162	0.0896	0.2838
Echinococcus multilocularis	orexin receptor type 2	0.0162	0.0896	0.2838
Echinococcus granulosus	g protein coupled receptor	0.0162	0.0896	0.2838
Brugia malayi	G-protein coupled receptor	0.0162	0.0896	0.0714
Schistosoma mansoni	amine GPCR	0.0162	0.0896	0.2767
Mycobacterium leprae	Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD)	0.0055	0.0197	1
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0162	0.0896	0.2838
Brugia malayi	sulfakinin receptor protein	0.0162	0.0896	0.0714
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0162	0.0896	0.2838
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0896	0.0896
Echinococcus multilocularis	glutamate receptor 2	0.0061	0.0234	0.074

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (ADMET)	= 9.43 %	Cytotoxicity against mouse RAW264.7 cells at 50 uM after 72 hrs by MTT assay	ChEMBL.	24148991
Inhibition (binding)	= 24.13 %	Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) at 25 uM after 2 hrs	ChEMBL.	24148991
Inhibition (binding)	= 55.61 %	Inhibition of Mycobacterium smegmatis GyrB ATPase activity expressed in Escherichia coli BL21 (DE3) at 50 uM after 2 hrs	ChEMBL.	24148991
MIC (functional)	= 50.97 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv after 7 days by MABA assay	ChEMBL.	24148991

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.

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External resources for this compound

ChEMBL: CHEMBL3088288

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1841569