TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.194 | Formula: C16H14BrF3N2O2
H donors: 1 H acceptors: 2 LogP: 4.49 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1noc(c1Br)c1ccc(cc1)C(F)(F)F)NC1CCCC1
InChi: 1S/C16H14BrF3N2O2/c17-12-13(15(23)21-11-3-1-2-4-11)22-24-14(12)9-5-7-10(8-6-9)16(18,19)20/h5-8,11H,1-4H2,(H,21,23)
InChiKey: YVNWJVBYLAVLEP-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	transient receptor potential cation channel, subfamily V, member 1	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
Echinococcus multilocularis	neuroglian	0.0164	0.1954	0.1712
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.014	0.0897	0.0623
Echinococcus granulosus	titin	0.0177	0.2559	0.2335
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0219	0.4389	0.6222
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0177	0.2559	0.3647
Schistosoma mansoni	vesicular amine transporter	0.013	0.0466	0.0559
Echinococcus multilocularis	anosmin 1	0.014	0.0897	0.0623
Echinococcus multilocularis	transfer RNA-Phe	0.0177	0.2559	0.2335
Leishmania major	hypothetical protein, conserved	0.014	0.0897	0.5
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0219	0.4389	0.422
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0219	0.4389	0.6589
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0181	0.2727	0.2508
Trypanosoma cruzi	hypothetical protein, conserved	0.014	0.0897	0.5
Echinococcus multilocularis	roundabout 2	0.0219	0.4389	0.422
Schistosoma mansoni	tripartite motif protein trim9	0.014	0.0897	0.1076
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.014	0.0897	0.0973
Schistosoma mansoni	serine/threonine protein kinase	0.0177	0.2559	0.3069
Echinococcus granulosus	anosmin 1	0.014	0.0897	0.0623
Loa Loa (eye worm)	UNCoordinated family member	0.014	0.0897	0.0973
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0181	0.2725	0.2506
Echinococcus granulosus	EG95	0.014	0.0897	0.0623
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0219	0.4389	0.6589
Echinococcus granulosus	neuroglian	0.0164	0.1954	0.1712
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0126	0.0292	0.0351
Echinococcus multilocularis	titin	0.014	0.0897	0.0623
Loa Loa (eye worm)	myotactin form A	0.014	0.0897	0.0973
Echinococcus granulosus	neuroglian	0.0219	0.4389	0.422
Schistosoma mansoni	factor for adipocyte differentiation	0.014	0.0897	0.1076
Schistosoma mansoni	cell adhesion molecule	0.0177	0.2559	0.3069
Schistosoma mansoni	hemicentin	0.0177	0.2559	0.3069
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0181	0.2725	0.2506
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0219	0.4389	0.6222
Schistosoma mansoni	titin	0.0177	0.2559	0.3069
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Schistosoma mansoni	neuroglian	0.0219	0.4389	0.5263
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Schistosoma mansoni	titin	0.0177	0.2559	0.3069
Schistosoma mansoni	factor for adipocyte differentiation	0.014	0.0897	0.1076
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0219	0.4389	0.6222
Echinococcus multilocularis	anosmin 1	0.014	0.0897	0.0623
Echinococcus multilocularis	Fibronectin, type III	0.014	0.0897	0.0623
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0219	0.4389	0.422
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.014	0.0897	0.0973
Echinococcus granulosus	cell adhesion molecule	0.014	0.0897	0.0623
Schistosoma mansoni	cell adhesion molecule	0.0177	0.2559	0.3069
Echinococcus multilocularis	cell adhesion molecule	0.014	0.0897	0.0623
Echinococcus multilocularis	roundabout 2	0.0219	0.4389	0.422
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0181	0.2727	0.326
Schistosoma mansoni	nephrin	0.0219	0.4389	0.5263
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0181	0.2727	0.3916
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0266	0.6509	1
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Onchocerca volvulus		0.0177	0.2559	1
Loa Loa (eye worm)	hypothetical protein	0.0266	0.6509	1
Loa Loa (eye worm)	hypothetical protein	0.0266	0.6509	1
Onchocerca volvulus		0.0177	0.2559	1
Schistosoma mansoni	cell adhesion molecule	0.0308	0.8338	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.014	0.0897	0.0623
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0168	0.2122	0.1884
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.014	0.0897	0.0973
Echinococcus granulosus	fibronectin type III domain-containing protein	0.014	0.0897	0.0623
Schistosoma mansoni	cell adhesion molecule	0.0219	0.4389	0.5263
Loa Loa (eye worm)	hypothetical protein	0.0177	0.2559	0.3647
Schistosoma mansoni	factor for adipocyte differentiation	0.014	0.0897	0.1076
Schistosoma mansoni	hypothetical protein	0.014	0.0897	0.1076
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0126	0.0292	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0205	0.3784	0.5616
Echinococcus granulosus	Netrin receptor DCC	0.014	0.0897	0.0623
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.014	0.0897	0.5
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0219	0.4389	0.422
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0219	0.4389	0.422
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0209	0.395	0.5439
Onchocerca volvulus		0.0177	0.2559	1
Echinococcus multilocularis	titin	0.0177	0.2559	0.2335
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Echinococcus multilocularis	usherin	0.014	0.0897	0.0623
Echinococcus granulosus	Fibronectin type III domain containing protein	0.014	0.0897	0.0623
Echinococcus granulosus	usherin	0.014	0.0897	0.0623
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.014	0.0897	0.1076
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.014	0.0897	0.0623
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Schistosoma mansoni	hypothetical protein	0.0177	0.2559	0.3069
Echinococcus granulosus	roundabout 2	0.0219	0.4389	0.422
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.014	0.0897	0.0623
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.014	0.0897	0.0623
Echinococcus granulosus	anosmin 1	0.014	0.0897	0.0623
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	hypothetical protein	0.0266	0.6509	1
Echinococcus granulosus	twitchin	0.0164	0.1954	0.1712
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Echinococcus multilocularis	neuroglian	0.0219	0.4389	0.422
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.014	0.0897	0.0623
Schistosoma mansoni	myosin-binding protein-related	0.0177	0.2559	0.3069
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.014	0.0897	0.1076
Schistosoma mansoni	cell adhesion molecule	0.0219	0.4389	0.5263
Brugia malayi	Fibronectin type III domain containing protein	0.0266	0.6509	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0209	0.395	0.5883
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0181	0.2727	0.2508
Echinococcus granulosus	nephrin	0.0177	0.2559	0.2335
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0177	0.2559	0.3647
Echinococcus granulosus	G1Y162 protein	0.014	0.0897	0.0623
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0219	0.4389	0.422
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.014	0.0897	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0177	0.2559	0.3647
Echinococcus granulosus	titin	0.0177	0.2559	0.2335
Schistosoma mansoni	titin	0.014	0.0897	0.1076
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0219	0.4389	0.5263
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.014	0.0897	0.0623
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.014	0.0897	0.0623
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.014	0.0897	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.014	0.0897	0.1076
Echinococcus multilocularis	Netrin receptor DCC	0.014	0.0897	0.0623
Echinococcus granulosus	Fibronectin type III	0.014	0.0897	0.0623
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.014	0.0897	0.0973
Echinococcus granulosus	anosmin 1	0.014	0.0897	0.0623
Loa Loa (eye worm)	CAMK protein kinase	0.0177	0.2559	0.3647
Echinococcus granulosus	roundabout 2	0.0219	0.4389	0.422
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.014	0.0897	0.0623
Schistosoma mansoni	nephrin	0.0304	0.8171	0.9799
Echinococcus multilocularis	Netrin receptor DCC	0.014	0.0897	0.0623
Echinococcus multilocularis	anosmin 1	0.014	0.0897	0.0623
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0177	0.2559	0.2335
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Schistosoma mansoni	ephrin receptor	0.0181	0.2725	0.3268
Schistosoma mansoni	hypothetical protein	0.014	0.0897	0.1076
Loa Loa (eye worm)	hypothetical protein	0.0168	0.2122	0.2943
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.2559	0.2962
Brugia malayi	protein unc-22	0.0177	0.2559	0.2962
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.014	0.0897	0.0623
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0177	0.2559	0.3647
Loa Loa (eye worm)	hypothetical protein	0.0219	0.4389	0.6589
Loa Loa (eye worm)	hypothetical protein	0.0205	0.3784	0.5616
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Echinococcus granulosus	contactin	0.0219	0.4389	0.422
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.014	0.0897	0.5
Loa Loa (eye worm)	projectin	0.0177	0.2559	0.3647
Loa Loa (eye worm)	lethal protein 805	0.014	0.0897	0.0973
Echinococcus granulosus	Netrin receptor DCC	0.014	0.0897	0.0623
Loa Loa (eye worm)	hypothetical protein	0.014	0.0897	0.0973
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0177	0.2559	0.3647
Brugia malayi	hypothetical protein	0.0266	0.6509	1
Schistosoma mansoni	protein tyrosine phosphatase	0.014	0.0897	0.1076

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 46 nM	Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced calcium influx by fluorimetric assay	ChEMBL.	21236666

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: CHEMBL1669547

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 1507655