TDR Targets

Basic information

Technical information

TDR Targets ID: 1637596
Name: 3-[4-chloro-3-(trifluoromethyl)phenyl]-1-[2-( trifluoromethyl)-1H-benzimidazol-4-yl]urea
MW: 422.712 | Formula: C16H9ClF6N4O
H donors: 3 H acceptors: 2 LogP: 4.48 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cccc2c1[nH]c(n2)C(F)(F)F)Nc1ccc(c(c1)C(F)(F)F)Cl
InChi: 1S/C16H9ClF6N4O/c17-9-5-4-7(6-8(9)15(18,19)20)24-14(28)26-11-3-1-2-10-12(11)27-13(25-10)16(21,22)23/h1-6H,(H,25,27)(H2,24,26,28)
InChiKey: XYUBWZQJSZMHLF-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
Loa Loa (eye worm)	TK/Met protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FAK protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/ALK protein kinase	0.0177	0.8859	1
Brugia malayi	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0177	0.8859	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Trypanosoma cruzi	protein kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	TK/ABL protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/CSK protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/RYK protein kinase	0.0177	0.8859	1
Leishmania major	hypothetical protein, conserved	0.0177	0.8859	0.5
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0177	0.8859	1
Brugia malayi	Probable tyrosine-protein kinase kin-31	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Plasmodium falciparum	protein kinase, putative	0.0177	0.8859	0.5
Entamoeba histolytica	leucine-rich repeat domain-containing protein	0.0197	1	1
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Receptor family ligand binding region containing protein	0.0177	0.8859	1
Plasmodium falciparum	protein kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Tyrosine-protein kinase PR2	0.0177	0.8859	1
Loa Loa (eye worm)	TKL/MLK/TAK1 protein kinase	0.0177	0.8859	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0177	0.8859	1
Brugia malayi	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/ACK protein kinase	0.0177	0.8859	1
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0177	0.8859	0.5
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Plasmodium falciparum	tyrosine kinase-like protein	0.0177	0.8859	0.5
Loa Loa (eye worm)	serine/threonine protein kinase	0.0177	0.8859	1
Echinococcus multilocularis	integrin linked protein kinase	0.0177	0.8859	1
Toxoplasma gondii	Tyrosine kinase-like (TKL) protein	0.0177	0.8859	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	SRC-1	0.0177	0.8859	1
Brugia malayi	C-terminal src kinase protein 1	0.0177	0.8859	1
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Entamoeba histolytica	protein kinase, putative	0.0197	1	1
Trichomonas vaginalis	TKL family protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Schistosoma mansoni	protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.8859	1
Trichomonas vaginalis	TKL family protein kinase	0.0177	0.8859	1
Leishmania major	protein kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Brugia malayi	Adenylate and Guanylate cyclase catalytic domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Leishmania major	protein kinase, putative	0.0177	0.8859	0.5
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Raf kinase	0.0177	0.8859	1
Giardia lamblia	Protein 21.1	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Tyrosine-protein kinase F09A5.2 in chromosome X, putative	0.0177	0.8859	1
Brugia malayi	proto-oncogene tyrosine-protein kinase FER	0.0177	0.8859	1
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Trypanosoma brucei	Flagellum attachment zone protein 20	0.0177	0.8859	0.5
Brugia malayi	Probable tyrosine-protein kinase kin-31	0.0177	0.8859	1
Brugia malayi	protein-tyrosine kinase	0.0177	0.8859	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0177	0.8859	0.5
Brugia malayi	bone morphogenetic protein type 1 receptor	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Onchocerca volvulus		0.0177	0.8859	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0177	0.8859	0.5
Echinococcus multilocularis	tyrosine protein kinase shark	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0177	0.8859	1
Plasmodium falciparum	protein kinase, putative	0.0177	0.8859	0.5
Trichomonas vaginalis	TKL family protein kinase	0.0177	0.8859	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0177	0.8859	1
Brugia malayi	ephrin receptor 1 precursor	0.0177	0.8859	1
Trypanosoma brucei	protein kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	protein kinase domain-containing protein	0.0177	0.8859	1
Plasmodium vivax	tyrosine kinase-like protein, putative	0.0177	0.8859	0.5
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Trypanosoma cruzi	protein kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Echinococcus granulosus	tyrosine protein kinase shark	0.0177	0.8859	1
Entamoeba histolytica	hypothetical protein	0.0197	1	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Entamoeba histolytica	hypothetical protein	0.0197	1	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	SH2 domain containing protein	0.0177	0.8859	1
Entamoeba histolytica	ankyrin repeat protein	0.0177	0.8859	0.00000099708
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Giardia lamblia	Kinase, NEK	0.0177	0.8859	1
Loa Loa (eye worm)	TK/INSR protein kinase	0.0177	0.8859	1
Brugia malayi	Adenylate and Guanylate cyclase catalytic domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Toxoplasma gondii	STE kinase	0.0177	0.8859	0.5
Entamoeba histolytica	protein kinase, putative	0.0177	0.8859	0.00000099708
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0177	0.8859	0.5
Trypanosoma brucei	AGC/RSK family serine/threonine kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Trypanosoma brucei	Pseudokinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	TKL/MLK/HH498 protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Entamoeba histolytica	protein kinase, putative	0.0177	0.8859	0.00000099708
Loa Loa (eye worm)	TKL/MLK/ILK protein kinase	0.0177	0.8859	1
Schistosoma mansoni	tyrosine kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/DDR protein kinase	0.0177	0.8859	1
Echinococcus granulosus	integrin linked protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Toxoplasma gondii	protein kinase	0.0177	0.8859	0.5
Brugia malayi	SRC-1	0.0177	0.8859	1
Loa Loa (eye worm)	TK/KIN6 protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Plasmodium falciparum	tyrosine kinase-like protein	0.0177	0.8859	0.5
Plasmodium vivax	protein kinase, putative	0.0177	0.8859	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK protein kinase	0.0177	0.8859	1
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0177	0.8859	0.5
Brugia malayi	integrin-linked kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	SH2 domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Toxoplasma gondii	protein kinase domain-containing protein	0.0177	0.8859	0.5
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.8859	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.8859	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Trichomonas vaginalis	TKL family protein kinase	0.0177	0.8859	1
Schistosoma mansoni	protein kinase	0.0177	0.8859	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.8859	1
Loa Loa (eye worm)	TKL/RAF/KSR protein kinase	0.0177	0.8859	1
Brugia malayi	Guanylyl cyclase protein 23	0.0177	0.8859	1
Loa Loa (eye worm)	TK/EPH protein kinase	0.0177	0.8859	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 32 nM	Antagonist activity at human TRPV1 expressed in CHOluc9aeq cells assessed as inhibition of capsaicin-stimulated response by aequorin and CRE-lucifearase reporter gene assay	ChEMBL.	22525313

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: CHEMBL2024660

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 1637596