TDR Targets

Basic information

Technical information

TDR Targets ID: 415250
Name: 3-(4-fluorophenyl)-4-pyridin-4-yl-1H-quinolin -2-one
MW: 316.328 | Formula: C20H13FN2O
H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1c(=O)[nH]c2c(c1c1ccncc1)cccc2
InChi: 1S/C20H13FN2O/c21-15-7-5-13(6-8-15)19-18(14-9-11-22-12-10-14)16-3-1-2-4-17(16)23-20(19)24/h1-12H,(H,23,24)
InChiKey: XGHLQYNFUUFQBV-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

3-(4-fluorophenyl)-4-(4-pyridyl)-1H-quinolin-2-one
3-(4-fluorophenyl)-4-(4-pyridyl)carbostyril
3-(4-fluorophenyl)-4-pyridin-4-ylquinoline-2(1H)-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase 14	Starlite/ChEMBL	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 multilocularis	mitogen activated protein kinase 11	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
Candida albicans	MAP kinase involved in osmoregulation	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
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	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
Echinococcus multilocularis	mitogen activated protein kinase 11	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
Leishmania donovani	mitogen-activated protein 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	mitogen activated protein kinase 14	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
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
Leishmania major	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
Leishmania mexicana	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
Echinococcus granulosus	mitogen activated protein kinase 14	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

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 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	brahma associated protein	0.0124	0.8115	0.7395
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	1	1
Schistosoma mansoni	hypothetical protein	0.0044	0.2766	0.3408
Giardia lamblia	Kinase	0.0003	0	0.5
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0124	0.8115	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0124	0.8115	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0124	0.8115	0.7395
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	1	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	1	1
Schistosoma mansoni	fusion	0.0044	0.2766	0.3408
Trichomonas vaginalis	conserved hypothetical protein	0.0124	0.8115	0.5
Onchocerca volvulus		0.0124	0.8115	1
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	1	1
Schistosoma mansoni	brg-1 associated factor	0.0124	0.8115	1
Brugia malayi	brahma associated protein 60 kDa	0.0124	0.8115	0.7395
Schistosoma mansoni	TRABID protein (C64 family)	0.0044	0.2766	0.3408
Schistosoma mansoni	hypothetical protein	0.0124	0.8115	1
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0124	0.8115	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0124	0.8115	0.7395
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0124	0.8115	0.7395
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0124	0.8115	1
Chlamydia trachomatis	DNA topoisomerase I	0.0124	0.8115	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0124	0.8115	1
Chlamydia trachomatis	SWIB complex protein	0.0124	0.8115	0.5
Schistosoma mansoni	zinc finger protein	0.0044	0.2766	0.3408
Schistosoma mansoni	RNA binding protein	0.0044	0.2766	0.3408
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0124	0.8115	0.7395
Echinococcus granulosus	SWI:SNF matrix associated	0.0124	0.8115	0.7395
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	1	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	1	1
Schistosoma mansoni	hypothetical protein	0.0124	0.8115	1
Giardia lamblia	Kinase, NEK	0.0003	0	0.5
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	1	1
Schistosoma mansoni	hypothetical protein	0.0124	0.8115	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0124	0.8115	0.7395
Echinococcus multilocularis	SWI:SNF matrix associated	0.0124	0.8115	0.7395
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0124	0.8115	0.7395
Brugia malayi	brahma associated protein 60 kDa	0.0124	0.8115	0.7395
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	1	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	1	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0124	0.8115	1
Giardia lamblia	Kinase, NEK	0.0003	0	0.5
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 53 %	Inhibition of p38alpha (unknown origin) assessed as residual activity at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 53 %	Inhibition of p38alpha (unknown origin) assessed as residual activity at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 73 %	Residual activity of ERK8 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 73 %	Residual activity of ERK8 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 84 %	Inhibition of ERK1 (unknown origin) assessed as residual activity at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 84 %	Inhibition of ERK1 (unknown origin) assessed as residual activity at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 86 %	Residual activity of JNK1 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 86 %	Residual activity of JNK1 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 89 %	Residual activity of JNK2 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (functional)	= 89 %	Residual activity of p38gamma (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 89 %	Residual activity of JNK2 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (functional)	= 89 %	Residual activity of p38gamma (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 91 %	Residual activity of p38delta (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 91 %	Residual activity of p38delta (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 93 %	Residual activity of ERK2 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 93 %	Residual activity of ERK2 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 97 %	Residual activity of p38beta (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 97 %	Residual activity of p38beta (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 106 %	Residual activity of JNK3 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
Activity (binding)	= 106 %	Residual activity of JNK3 (unknown origin) at 10 uM relative to control	ChEMBL.	18207396
IC50 (binding)	= 1.8 uM	Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay	ChEMBL.	17323937
IC50 (binding)	= 1.8 uM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18207396
IC50 (binding)	= 1.8 uM	Inhibition of p38alpha MAPK by non-radioactive immunosorbent assay	ChEMBL.	17323937
IC50 (binding)	= 1.8 uM	Inhibition of p38alpha (unknown origin)	ChEMBL.	18207396
Inhibition (binding)	= 6 %	Inhibition of JNK3 at 100 uM by non-radioactive immunosorbent assay	ChEMBL.	17323937
Inhibition (binding)	= 6 %	Inhibition of JNK3 at 100 uM by non-radioactive immunosorbent assay	ChEMBL.	17323937

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: CHEMBL434737
PubChem: 16115349

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 415250