TDR Targets

Basic information

Technical information

TDR Targets ID: 112308
Name: 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1H-imi dazol-5-yl]pyridine
MW: 322.379 | Formula: C19H19FN4
H donors: 2 H acceptors: 2 LogP: 2.56 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1[nH]c(nc1c1ccncc1)C1CCNCC1
InChi: 1S/C19H19FN4/c20-16-3-1-13(2-4-16)17-18(14-5-9-21-10-6-14)24-19(23-17)15-7-11-22-12-8-15/h1-6,9-10,15,22H,7-8,11-12H2,(H,23,24)
InChiKey: IXHWMGAFLNPNII-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-[4-(4-fluorophenyl)-2-(4-piperidyl)-1H-imidazol-5-yl]pyridine
4-[4-(4-fluorophenyl)-2-(4-piperidinyl)-1H-imidazol-5-yl]pyridine
4-[5-(4-fluorophenyl)-2-piperidin-4-yl-3H-imidazol-4-yl]pyridine
4-[5-(4-fluorophenyl)-2-(4-piperidyl)-3H-imidazol-4-yl]pyridine
4-[5-(4-fluorophenyl)-2-(4-piperidinyl)-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	Raf-1 proto-oncogene, serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase 8	Starlite/ChEMBL	References
Homo sapiens	mitogen-activated protein kinase 14		References
Homo sapiens	mitogen-activated protein kinase 12		References
Homo sapiens	mitogen-activated protein kinase 13	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Brugia malayi	Stress-activated protein kinase jnk-1	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus granulosus	raf serine:threonine protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Leishmania braziliensis	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Candida albicans	MAP kinase involved in osmoregulation	Get druggable targets OG5_128610	All targets in OG5_128610
Brugia malayi	Raf kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	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
Echinococcus multilocularis	raf serine:threonine protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Echinococcus multilocularis	mitogen activated protein kinase 14	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
Echinococcus multilocularis	c Jun NH2 terminal kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Brugia malayi	P38 map kinase family protein 2	Get druggable targets OG5_128610	All targets in OG5_128610
Trypanosoma congolense	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
Schistosoma japonicum	IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing	Get druggable targets OG5_129677	All targets in OG5_129677
Trypanosoma cruzi	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
Schistosoma japonicum	ko:K04365 B-Raf proto-oncogene serine/threonine-protein kinase, putative	Get druggable targets OG5_130459	All targets in OG5_130459
Echinococcus granulosus	c-Jun N-terminal kinases	Get druggable targets OG5_129677	All targets in OG5_129677
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
Trypanosoma brucei gambiense	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04440 c-Jun N-terminal kinase, putative	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus multilocularis	mitogen activated protein kinase 11	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_130459	All targets in OG5_130459
Leishmania infantum	mitogen-activated protein kinase 3, putative,map 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
Leishmania donovani	mitogen-activated protein kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	Get druggable targets OG5_128610	All targets in OG5_128610
Schistosoma japonicum	ko:K04441 p38 MAP kinase, putative	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
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677
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 13	365 aa	366 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 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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0046	0.0774	0.0774
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Loa Loa (eye worm)	oxidoreductase	0.016	0.3329	0.3329
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0457	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0148	0.3063	0.3063
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0046	0.0774	0.5
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0281	0.6031	0.6031
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3329	0.3329
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0457	1	1
Echinococcus granulosus	hypothetical protein	0.016	0.3329	0.3329
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.016	0.3329	0.2769
Onchocerca volvulus		0.016	0.3329	1
Schistosoma mansoni	serine/threonine protein kinase	0.0281	0.6031	1
Echinococcus multilocularis	aldo keto reductase	0.016	0.3329	0.3329
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0457	1	1
Loa Loa (eye worm)	oxidoreductase	0.016	0.3329	0.3329
Trypanosoma brucei	prostaglandin f synthase	0.016	0.3329	0.2769
Trypanosoma brucei	aldo-keto reductase, putative	0.016	0.3329	0.2769
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0457	1	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0457	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Onchocerca volvulus		0.016	0.3329	1
Plasmodium vivax	aldehyde reductase, putative	0.0046	0.0774	0.5
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3329	0.3329
Trichomonas vaginalis	aldo/keto reductase, putative	0.016	0.3329	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0457	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.016	0.3329	0.3329
Entamoeba histolytica	aldose reductase, putative	0.016	0.3329	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Echinococcus granulosus	mitogen activated protein kinase 14	0.0457	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0046	0.0774	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Echinococcus multilocularis	aldehyde reductase	0.0114	0.2287	0.2287
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.016	0.3329	1
Loa Loa (eye worm)	oxidoreductase	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase	0.016	0.3329	0.3329
Trypanosoma cruzi	aldo/keto reductase, putative	0.016	0.3329	0.2769
Echinococcus multilocularis	aldo keto reductase	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Plasmodium falciparum	aldo-keto reductase, putative	0.0046	0.0774	0.5
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0262	0.5606	0.5606
Echinococcus granulosus	raf serine:threonine protein kinase	0.0262	0.5606	0.5606
Echinococcus granulosus	aldo keto reductase	0.016	0.3329	0.3329
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0046	0.0774	0.0774
Echinococcus granulosus	voltage gated potassium channel subunit	0.0046	0.0774	0.0774
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0046	0.0774	0.0774
Onchocerca volvulus		0.016	0.3329	1
Schistosoma mansoni	pol-related	0.016	0.3329	0.5519
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Mycobacterium leprae	Conserved hypothetical protein	0.0114	0.2287	0.5922
Echinococcus granulosus	c-Jun N-terminal kinases	0.0281	0.6031	0.6031
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.016	0.3329	0.2769
Loa Loa (eye worm)	oxidoreductase	0.016	0.3329	0.3329
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Onchocerca volvulus		0.016	0.3329	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Loa Loa (eye worm)	hypothetical protein	0.016	0.3329	0.3329
Trichomonas vaginalis	aldo/keto reductase, putative	0.016	0.3329	1
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0281	0.6031	0.6031
Echinococcus multilocularis	aldo keto reductase	0.016	0.3329	0.3329
Toxoplasma gondii	aldose reductase, putative	0.016	0.3329	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.016	0.3329	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0457	1	1
Brugia malayi	Raf kinase	0.0253	0.5401	0.5401
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.016	0.3329	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Leishmania major	prostaglandin f synthase, putative	0.016	0.3329	0.2769
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Giardia lamblia	Aldose reductase	0.016	0.3329	0.5
Brugia malayi	NADH-dependent xylose reductase	0.0046	0.0774	0.0774
Schistosoma mansoni	potassium channel beta	0.0046	0.0774	0.1284
Trypanosoma cruzi	aldo-keto reductase	0.016	0.3329	0.2769
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0457	1	1
Brugia malayi	Stress-activated protein kinase jnk-1	0.0281	0.6031	0.6031
Schistosoma mansoni	aldo-keto reductase	0.016	0.3329	0.5519
Echinococcus granulosus	aldo keto reductase	0.016	0.3329	0.3329
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.016	0.3329	1
Mycobacterium ulcerans	oxidoreductase	0.016	0.3329	1
Entamoeba histolytica	aldose reductase, putative	0.016	0.3329	1
Schistosoma mansoni	aldo-keto reductase	0.016	0.3329	0.5519
Loa Loa (eye worm)	raf kinase	0.026	0.5578	0.5578
Echinococcus granulosus	aldehyde reductase	0.0114	0.2287	0.2287
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Loa Loa (eye worm)	oxidoreductase	0.016	0.3329	0.3329
Mycobacterium tuberculosis	Probable oxidoreductase	0.016	0.3329	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Giardia lamblia	Aldose reductase	0.016	0.3329	0.5
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0457	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0262	0.5606	0.9295
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0046	0.0774	0.0774
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Echinococcus granulosus	aldo keto reductase	0.016	0.3329	0.3329
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Entamoeba histolytica	aldose reductase, putative	0.016	0.3329	1
Onchocerca volvulus		0.016	0.3329	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.016	0.3329	0.3329
Leishmania major	aldo-keto reductase-like protein	0.016	0.3329	0.2769
Trichomonas vaginalis	aldo-keto reductase, putative	0.016	0.3329	1
Echinococcus granulosus	mitogen activated protein kinase 11	0.0457	1	1
Onchocerca volvulus		0.016	0.3329	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.016	0.3329	0.3329
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.016	0.3329	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9 nM	Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase)	ChEMBL.	10377223
IC50 (binding)	= 9 nM	Inhibitory activity against Mitogen-activated protein kinase p38 (MAP kinase)	ChEMBL.	10377223
IC50 (binding)	= 80 nM	Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase	ChEMBL.	10377223
IC50 (binding)	= 80 nM	Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase	ChEMBL.	10377223
IC50 (functional)	= 175 nM	Inhibition of LPS-induced release of Tumor necrosis factor-alpha (TNF-alpha) from human whole blood	ChEMBL.	10377223
IC50 (functional)	= 175 nM	Inhibition of LPS-induced release of Tumor necrosis factor-alpha (TNF-alpha) from human whole blood	ChEMBL.	10377223
IC50 (binding)	= 210 nM	Inhibition of c-Jun N-terminal kinase 2-alpha 1	ChEMBL.	10377223
IC50 (binding)	= 210 nM	Inhibition of c-Jun N-terminal kinase 2-alpha 1	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: CHEMBL69764
PubChem: 10829684

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 112308