TDR Targets

Basic information

Technical information

TDR Targets ID: 114032
Name: 4-[2-phenyl-4-[4-(trifluoromethyl)phenyl]-1H- imidazol-5-yl]pyridine
MW: 365.351 | Formula: C21H14F3N3
H donors: 1 H acceptors: 2 LogP: 4.86 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1ccc(cc1)c1[nH]c(nc1c1ccncc1)c1ccccc1)(F)F
InChi: 1S/C21H14F3N3/c22-21(23,24)17-8-6-14(7-9-17)18-19(15-10-12-25-13-11-15)27-20(26-18)16-4-2-1-3-5-16/h1-13H,(H,26,27)
InChiKey: URTATIJPBIRPTP-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

4-[2-phenyl-5-[4-(trifluoromethyl)phenyl]-3H-imidazol-4-yl]pyridine

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 11		References
Homo sapiens	mitogen-activated protein kinase 12		References
Homo sapiens	Raf-1 proto-oncogene, serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase 13	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase 14		References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04365 B-Raf proto-oncogene serine/threonine-protein kinase, putative	Get druggable targets OG5_130459	All targets in OG5_130459
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Loa Loa (eye worm)	raf kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	Raf kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	raf serine:threonine protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania infantum	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus multilocularis	raf serine:threonine protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Echinococcus granulosus	mitogen activated protein kinase 14	Get druggable targets OG5_128610	All targets in OG5_128610

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 14	360 aa	336 aa	33.3 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 12	357 aa	362 aa	30.1 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 11	364 aa	361 aa	33.0 %
Trypanosoma brucei	mitogen-activated protein kinase 5	mitogen-activated protein kinase 13	365 aa	366 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1138	0.7707	0.7491
Echinococcus granulosus	glycoprotein Antigen 5	0.0438	0.1338	0.0487
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0457	0.1507	0.0673
Brugia malayi	CUB domain containing protein	0.0357	0.0602	0.0602
Echinococcus granulosus	transmembrane protease serine 3	0.0438	0.1338	0.0487
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.1389	0.9988	0.5
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0608	0.2887	0.2887
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0438	0.1338	0.0487
Echinococcus multilocularis	Mastin	0.0438	0.1338	0.0487
Onchocerca volvulus		0.1355	0.9678	0.969
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0438	0.1338	0.0487
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0577	0.2597	0.1872
Brugia malayi	Kringle domain containing protein	0.1389	0.9988	0.9988
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Trypanosoma cruzi	hypothetical protein, conserved	0.1389	0.9988	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Loa Loa (eye worm)	TK/ROR protein kinase	0.139	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Brugia malayi	P38 map kinase family protein 2	0.0457	0.1507	0.1507
Onchocerca volvulus		0.0438	0.1338	0.134
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.039	0.0895	0.0895
Loa Loa (eye worm)	trypsin family protein	0.0438	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0528	0.2154	0.2154
Plasmodium falciparum	cysteine repeat modular protein 1	0.1389	0.9988	0.5
Echinococcus multilocularis	glycoprotein Antigen 5	0.0438	0.1338	0.0487
Onchocerca volvulus		0.1202	0.8289	0.8298
Echinococcus granulosus	tissue type plasminogen activator	0.1389	0.9988	1
Toxoplasma gondii	kringle domain-containing protein	0.1389	0.9988	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0438	0.1338	0.0487
Onchocerca volvulus		0.0438	0.1338	0.134
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0457	0.1507	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0357	0.0602	0.0602
Echinococcus multilocularis	tissue type plasminogen activator	0.1389	0.9988	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0457	0.1507	0.0673
Echinococcus multilocularis	enteropeptidase	0.0438	0.1338	0.0487
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Onchocerca volvulus		0.0343	0.0469	0.047
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0528	0.2154	0.1385
Loa Loa (eye worm)	hypothetical protein	0.0781	0.4456	0.4456
Onchocerca volvulus		0.1202	0.8289	0.8298
Loa Loa (eye worm)	hypothetical protein	0.1202	0.8289	0.8289
Brugia malayi	Calcium binding EGF domain containing protein	0.039	0.0895	0.0895
Schistosoma mansoni	hypothetical protein	0.0438	0.1338	0.0487
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0781	0.4456	0.4456
Brugia malayi	Muscle positioning protein 4	0.1355	0.9678	0.9678
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0457	0.1507	0.5
Onchocerca volvulus		0.1202	0.8289	0.8298
Loa Loa (eye worm)	hypothetical protein	0.039	0.0895	0.0895
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0438	0.1338	0.1338
Mycobacterium ulcerans	hypothetical protein	0.0438	0.1338	0.5
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0528	0.2154	0.2154
Echinococcus granulosus	mitogen activated protein kinase 14	0.0457	0.1507	0.0673
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0781	0.4456	0.3916
Brugia malayi	Trypsin family protein	0.0438	0.1338	0.1338
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0457	0.1507	0.1507
Brugia malayi	Trypsin family protein	0.0781	0.4456	0.4456
Brugia malayi	Trypsin family protein	0.0438	0.1338	0.1338
Schistosoma mansoni	hypothetical protein	0.1389	0.9988	1
Onchocerca volvulus	Arrow homolog	0.0608	0.2887	0.289
Onchocerca volvulus		0.1202	0.8289	0.8298
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0438	0.1338	0.0487
Loa Loa (eye worm)	hypothetical protein	0.1355	0.9678	0.9678
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Brugia malayi	Trypsin family protein	0.0438	0.1338	0.1338
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0438	0.1338	0.0487
Echinococcus granulosus	enteropeptidase	0.0438	0.1338	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1338	0.1338
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0608	0.2887	0.2887
Loa Loa (eye worm)	hypothetical protein	0.1389	0.9988	0.9988
Schistosoma mansoni	hypothetical protein	0.1202	0.8289	0.8131
Schistosoma mansoni	hypothetical protein	0.0438	0.1338	0.0487
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0438	0.1338	0.0487
Echinococcus multilocularis	Tolloid protein 1	0.0528	0.2154	0.1385
Onchocerca volvulus		0.0438	0.1338	0.134
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Echinococcus granulosus	Mastin	0.0438	0.1338	0.0487
Onchocerca volvulus		0.0781	0.4456	0.4461
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0438	0.1338	0.0487
Echinococcus granulosus	Tolloid protein 1	0.0528	0.2154	0.1385
Onchocerca volvulus		0.0438	0.1338	0.134
Brugia malayi	SEA domain containing protein	0.1202	0.8289	0.8289
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0438	0.1338	0.0487
Loa Loa (eye worm)	DOMON domain-containing protein	0.1202	0.8289	0.8289
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0438	0.1338	0.0487
Onchocerca volvulus		0.1389	0.9988	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0438	0.1338	0.0487
Brugia malayi	hypothetical protein	0.0438	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1338	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0747	0.4146	0.4146
Loa Loa (eye worm)	hypothetical protein	0.039	0.0895	0.0895
Echinococcus granulosus	mitogen activated protein kinase 11	0.0457	0.1507	0.0673
Brugia malayi	Trypsin-like protease protein 5	0.0438	0.1338	0.1338
Brugia malayi	Fibulin-1 precursor	0.039	0.0895	0.0895
Onchocerca volvulus		0.0438	0.1338	0.134
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0457	0.1507	0.0673
Echinococcus multilocularis	transmembrane protease serine 3	0.0438	0.1338	0.0487
Leishmania major	hypothetical protein, conserved	0.1389	0.9988	1
Loa Loa (eye worm)	hypothetical protein	0.0608	0.2887	0.2887
Loa Loa (eye worm)	hypothetical protein	0.0438	0.1338	0.1338

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 200 nM	Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase)	ChEMBL.	10377223
IC50 (binding)	= 200 nM	Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase)	ChEMBL.	10377223
IC50 (binding)	= 1400 nM	Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase	ChEMBL.	10377223
IC50 (binding)	= 1400 nM	Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase	ChEMBL.	10377223

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: CHEMBL304166
PubChem: 10546780

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 114032