TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 375.173 | Formula: C16H11Cl2F3N2O
H donors: 2 H acceptors: 2 LogP: 4.82 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cc2[nH]c(nc2cc1Cl)C(C(F)(F)F)(Cc1ccccc1)O
InChi: 1S/C16H11Cl2F3N2O/c17-10-6-12-13(7-11(10)18)23-14(22-12)15(24,16(19,20)21)8-9-4-2-1-3-5-9/h1-7,24H,8H2,(H,22,23)
InChiKey: HBXLTUGUUJKVCQ-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	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	para nitrobenzyl esterase	0.0047	0.1395	0.1391
Echinococcus multilocularis	G protein coupled receptor 139	0.001	0.0019	0.0014
Schistosoma mansoni	hypothetical protein	0.001	0.0019	0.0014
Schistosoma mansoni	amine GPCR	0.001	0.0019	0.0014
Brugia malayi	Carboxylesterase family protein	0.0047	0.1395	0.1379
Schistosoma mansoni	neuropeptide receptor	0.001	0.0019	0.0014
Schistosoma mansoni	amine GPCR	0.001	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Brugia malayi	Carboxylesterase family protein	0.0278	1	1
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	g protein coupled receptor	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0019	0.0014
Echinococcus granulosus	g-protein coupled receptor	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	acetylcholinesterase	0.0278	1	1
Echinococcus multilocularis	thymidylate synthase	0.0145	0.5028	0.5026
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0019	0.0014
Chlamydia trachomatis	dihydrofolate reductase	0.0059	0.184	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Echinococcus multilocularis	neuropeptide s receptor	0.001	0.0019	0.0014
Schistosoma mansoni	hypothetical protein	0.001	0.0019	0.0014
Onchocerca volvulus		0.0047	0.1395	0.2748
Loa Loa (eye worm)	dihydrofolate reductase	0.0059	0.184	0.1825
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0019	0.0014
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	g-protein coupled receptor	0.001	0.0019	0.0014
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptides capa receptor	0.001	0.0019	0.0014
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0204	0.7223	1
Schistosoma mansoni	neuropeptide receptor	0.001	0.0019	0.0014
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.1395	0.1391
Onchocerca volvulus		0.0047	0.1395	0.2748
Echinococcus multilocularis	dro:myosuppressin receptor	0.001	0.0019	0.0014
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0047	0.1395	0.1391
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0204	0.7223	1
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0019	0.0014
Schistosoma mansoni	biogenic amine (5HT) receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	serotonin receptor	0.001	0.0019	0.0014
Mycobacterium ulcerans	thymidylate synthase	0.0145	0.5028	1
Echinococcus granulosus	carboxylesterase 5A	0.0278	1	1
Echinococcus multilocularis	neuropeptide receptor A26	0.001	0.0019	0.0014
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	thymidylate synthase	0.0145	0.5028	0.5019
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0278	1	1
Brugia malayi	thymidylate synthase	0.0145	0.5028	0.5019
Echinococcus granulosus	7tm_1 domain containing protein	0.001	0.0019	0.0014
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0047	0.1395	0.1391
Echinococcus multilocularis	serotonin receptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Schistosoma mansoni	acetylcholinesterase	0.0047	0.1395	0.1391
Loa Loa (eye worm)	carboxylesterase	0.0278	1	1
Echinococcus granulosus	fmrfamide receptor	0.001	0.0019	0.0014
Brugia malayi	Carboxylesterase family protein	0.0047	0.1395	0.1379
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.001	0.0019	0.0014
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0204	0.7223	1
Echinococcus granulosus	peptide allatostatin:somatostatin	0.001	0.0019	0.0014
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0019	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	neuropeptide Y receptor	0.001	0.0019	0.0014
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0145	0.5028	0.5026
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0145	0.5028	1
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0019	0.0014
Schistosoma mansoni	biogenic amine receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	somatostatin receptor	0.001	0.0019	0.0014
Giardia lamblia	ABC transporter	0.001	0	0.5
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Brugia malayi	Carboxylesterase family protein	0.0047	0.1395	0.1379
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.001	0.0019	0.0014
Echinococcus granulosus	sex peptide receptor	0.001	0.0019	0.0014
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0204	0.7223	1
Schistosoma mansoni	opsin-like receptor	0.001	0.0019	0.0014
Schistosoma mansoni	neuropeptide receptor	0.001	0.0019	0.0014
Echinococcus granulosus	acetylcholinesterase	0.0278	1	1
Echinococcus multilocularis	allatostatin A receptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptide FF receptor 2	0.001	0.0019	0.0014
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0019	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	histamine h1 receptor	0.001	0.0019	0.0014
Brugia malayi	hypothetical protein	0.0069	0.2206	0.2192
Echinococcus granulosus	tachykinin peptides receptor 99D	0.001	0.0019	0.0014
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	G-protein coupled receptor, putative	0.001	0.0019	0.0014
Echinococcus granulosus	biogenic amine 5HT receptor	0.001	0.0019	0.0014
Echinococcus granulosus	dro:myosuppressin receptor	0.001	0.0019	0.0014
Echinococcus granulosus	hypothetical protein	0.001	0.0019	0.0014
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.1395	0.1391
Echinococcus granulosus	somatostatin receptor	0.001	0.0019	0.0014
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0047	0.1395	0.1391
Schistosoma mansoni	neuropeptide f receptor 76f	0.001	0.0019	0.0014
Echinococcus granulosus	BC026374 protein S09 family	0.0047	0.1395	0.1391
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.001	0.0019	0.0014
Schistosoma mansoni	hypothetical protein	0.001	0.0019	0.0014
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.001	0.0019	0.0014
Schistosoma mansoni	growth hormone secretagogue receptor	0.001	0.0019	0.0014
Onchocerca volvulus		0.0047	0.1395	0.2748
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	allatostatin A receptor	0.001	0.0019	0.0014
Echinococcus granulosus	7TM GPCR rhodopsin	0.001	0.0019	0.0014
Echinococcus granulosus	dihydrofolate reductase	0.0059	0.184	0.1837
Loa Loa (eye worm)	hypothetical protein	0.0278	1	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0019	0.0014
Schistosoma mansoni	biogenic amine receptor	0.001	0.0019	0.0014
Schistosoma mansoni	gliotactin	0.0047	0.1395	0.1391
Onchocerca volvulus		0.0145	0.5028	1
Brugia malayi	dihydrofolate reductase family protein	0.0059	0.184	0.1825
Echinococcus multilocularis	acetylcholinesterase	0.0278	1	1
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0204	0.7223	1
Onchocerca volvulus		0.0047	0.1395	0.2748
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.001	0.0019	0.0014
Echinococcus granulosus	orexin receptor type 2	0.001	0.0019	0.0014
Schistosoma mansoni	adenoreceptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	carboxylesterase	0.0047	0.1395	0.1379
Schistosoma mansoni	BC026374 protein (S09 family)	0.0047	0.1395	0.1391
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0204	0.7223	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.001	0.0019	0.0014
Schistosoma mansoni	amine GPCR	0.001	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1395	0.1379
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.001	0.0019	0.0014
Echinococcus multilocularis	neuropeptide FF receptor 2	0.001	0.0019	0.0014
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0047	0.1395	0.1391
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0019	0.0014
Echinococcus granulosus	g protein coupled receptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	carboxylesterase	0.0047	0.1395	0.1379
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.001	0.0019	0.0014
Schistosoma mansoni	alpha-1 adrenergic receptor	0.001	0.0019	0.0014
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	dihydrofolate reductase	0.0059	0.184	0.1837
Schistosoma mansoni	neuropeptide receptor	0.001	0.0019	0.0014
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0069	0.2206	0.305
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	opsin-like receptor	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptide receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	para nitrobenzyl esterase	0.0047	0.1395	0.1391
Schistosoma mansoni	opsin-like receptor	0.001	0.0019	0.0014
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.1395	0.1391
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0278	1	1
Echinococcus granulosus	neuropeptide s receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	biogenic amine receptor	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptide receptor	0.001	0.0019	0.0014
Echinococcus granulosus	neuroligin	0.0047	0.1395	0.1391
Brugia malayi	hypothetical protein	0.0047	0.1395	0.1379
Echinococcus granulosus	alpha 1A adrenergic receptor	0.001	0.0019	0.0014
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.001	0.0019	0.0014
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	dihydrofolate reductase	0.0059	0.184	0.1837
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0019	0.0014
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0019	0.0014
Onchocerca volvulus		0.0047	0.1395	0.2748
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.001	0.0019	0.0014
Schistosoma mansoni	amine GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0019	0.0014
Mycobacterium ulcerans	carboxylesterase, LipT	0.0047	0.1395	0.2768
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0019	0.0014
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0059	0.184	0.1226
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	fmrfamide receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.001	0.0019	0.0014
Echinococcus granulosus	thymidylate synthase	0.0145	0.5028	0.5026
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.001	0.0019	0.0014
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.001	0.0019	0.0014
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.001	0.0019	0.0014
Schistosoma mansoni	amine GPCR	0.001	0.0019	0.0014
Echinococcus multilocularis	neuropeptide receptor	0.001	0.0019	0.0014
Trichomonas vaginalis	conserved hypothetical protein	0.0069	0.2206	1
Echinococcus granulosus	tm gpcr rhodopsin	0.001	0.0019	0.0014
Echinococcus granulosus	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptide receptor A26	0.001	0.0019	0.0014
Schistosoma mansoni	hypothetical protein	0.001	0.0019	0.0014
Echinococcus granulosus	neuropeptide Y receptor	0.001	0.0019	0.0014
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.001	0.0019	0.0014
Entamoeba histolytica	ABC transporter, putative	0.001	0.0004	0.5
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.001	0.0019	0.0014
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.001	0.0019	0.0014
Loa Loa (eye worm)	acetylcholinesterase 1	0.0278	1	1
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0145	0.5028	1
Echinococcus multilocularis	neuropeptides capa receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.001	0.0019	0.0014
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0059	0.184	0.3655
Schistosoma mansoni	myosin xvIII	0.001	0.0019	0.0014
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.001	0.0019	0.0014
Echinococcus multilocularis	orexin receptor type 2	0.001	0.0019	0.0014
Echinococcus granulosus	g protein coupled receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	g protein coupled receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	carboxylesterase 5A	0.0278	1	1
Echinococcus granulosus	acetylcholinesterase	0.0278	1	1
Brugia malayi	Carboxylesterase family protein	0.0047	0.1395	0.1379
Mycobacterium tuberculosis	Hypothetical protein	0.0069	0.2206	0.2233
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.001	0.0019	0.0014
Brugia malayi	Dihydrofolate reductase	0.0059	0.184	0.1825
Echinococcus granulosus	serotonin receptor	0.001	0.0019	0.0014
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.001	0.0019	0.0014
Schistosoma mansoni	neuropeptide F-like receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	sex peptide receptor	0.001	0.0019	0.0014
Echinococcus multilocularis	rhodopsin orphan GPCR	0.001	0.0019	0.0014
Echinococcus granulosus	G protein coupled receptor 139	0.001	0.0019	0.0014
Echinococcus multilocularis	neuroligin	0.0047	0.1395	0.1391

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	0	Stimulation of levator ani muscle weight in immature Sprague-Dawley rat at 2 mg/day relative to testosterone	ChEMBL.	17197181
Inhibition (functional)	= 86 %	Inhibition of prostate weight in immature Sprague-Dawley rat at 2 mg/day, sc relative to testosterone	ChEMBL.	17197181

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: CHEMBL246010

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 460583