TDR Targets

Basic information

Technical information

TDR Targets ID: 1447414
Name: N-(4-fluorophenyl)-1-[3-(trifluoromethyl)quin oxalin-2-yl]piperidine-4-carboxamide
MW: 418.387 | Formula: C21H18F4N4O
H donors: 1 H acceptors: 3 LogP: 4.01 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCN(CC1)c1nc2ccccc2nc1C(F)(F)F)Nc1ccc(cc1)F
InChi: 1S/C21H18F4N4O/c22-14-5-7-15(8-6-14)26-20(30)13-9-11-29(12-10-13)19-18(21(23,24)25)27-16-3-1-2-4-17(16)28-19/h1-8,13H,9-12H2,(H,26,30)
InChiKey: CKZRZMMXWSQNDC-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

N-(4-fluorophenyl)-1-[3-(trifluoromethyl)-2-quinoxalinyl]-4-piperidinecarboxamide
N-(4-fluorophenyl)-1-[3-(trifluoromethyl)quinoxalin-2-yl]isonipecotamide
F070-0407
NCGC00127867-01

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Plasmodium vivax	hypothetical protein, conserved	0.0125	0.0945	1
Brugia malayi	Protein kinase domain containing protein	0.0105	0.0568	0.0534
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0454	0.7398	0.7399
Echinococcus multilocularis	dual specificity	0.0454	0.7398	0.7394
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Onchocerca volvulus		0.0125	0.0945	1
Echinococcus granulosus	mitogen activated protein kinase 15	0.0105	0.0568	0.0287
Brugia malayi	endochitinase	0.0088	0.0227	0.0188
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Onchocerca volvulus	Putative endochitinase	0.0088	0.0227	0.2052
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CMGC family protein kinase	0.0454	0.7398	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0189	0.2206	0.2206
Entamoeba histolytica	protein kinase, putative	0.0189	0.2206	0.2943
Brugia malayi	Carboxylesterase family protein	0.0091	0.0292	0.0255
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.01	0.0472	0.0187
Echinococcus granulosus	dual specificity	0.0454	0.7398	0.7394
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Loa Loa (eye worm)	haspin protein kinase	0.0582	0.9903	0.9904
Echinococcus multilocularis	hypothetical protein	0.01	0.0472	0.0187
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0105	0.0568	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0184	0.211	0.2111
Onchocerca volvulus		0.0091	0.0292	0.2778
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0105	0.0568	0.0388
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0105	0.0568	0.0287
Leishmania major	serine/threonine kinase-like protein, putative	0.0105	0.0568	0.0716
Onchocerca volvulus	Putative endochitinase	0.0088	0.0227	0.2052
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0105	0.0568	0.0568
Entamoeba histolytica	protein kinase, putative	0.0189	0.2206	0.2943
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Schistosoma mansoni	serine/threonine protein kinase	0.0105	0.0568	0.0287
Trichomonas vaginalis	serine/threonine kinase, putative	0.0105	0.0568	0.0388
Echinococcus granulosus	dual specificity	0.0189	0.2206	0.1991
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Carboxylesterase family protein	0.0091	0.0292	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0945	0.0946
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0105	0.0568	0.0534
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0541	0.9098	0.9163
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0105	0.0568	0.0388
Echinococcus granulosus	Hepatocellular carcinoma associated antigen 59	0.0125	0.0945	0.068
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0105	0.0568	0.0568
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus multilocularis	dual specificity	0.0454	0.7398	0.7394
Schistosoma mansoni	serine/threonine protein kinase	0.0189	0.2206	0.1991
Brugia malayi	hypothetical protein	0.0091	0.0292	0.0255
Loa Loa (eye worm)	hypothetical protein	0.0541	0.9098	0.91
Entamoeba histolytica	protein kinase, putative	0.0454	0.7398	1
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0454	0.7398	1
Brugia malayi	Carboxylesterase family protein	0.0541	0.9098	0.9184
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Schistosoma mansoni	hypothetical protein	0.0125	0.0945	0.068
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Plasmodium falciparum	conserved protein, unknown function	0.0125	0.0945	1
Brugia malayi	GSG2	0.0582	0.9903	1
Loa Loa (eye worm)	haspin protein kinase	0.0586	0.9999	1
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0105	0.0568	0.0716
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0582	0.9903	1
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CMGC family protein kinase	0.0454	0.7398	1
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0454	0.7398	1
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus multilocularis	Hepatocellular carcinoma associated antigen 59	0.0125	0.0945	0.068
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	hypothetical protein	0.0582	0.9903	1
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0125	0.0945	0.0946
Loa Loa (eye worm)	carboxylesterase	0.0091	0.0292	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Loa Loa (eye worm)	acetylcholinesterase 1	0.0541	0.9098	0.91
Brugia malayi	Cell division protein kinase 2	0.0105	0.0568	0.0534
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0582	0.9903	1
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Hepatocellular carcinoma-associated antigen 59 family protein	0.0125	0.0945	0.0917
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus granulosus	dual specificity	0.0454	0.7398	0.7394
Echinococcus granulosus	cyclin dependent kinase 9	0.0105	0.0568	0.0287
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Carboxylesterase family protein	0.0541	0.9098	0.9184
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Onchocerca volvulus		0.0091	0.0292	0.2778
Schistosoma mansoni	hypothetical protein	0.01	0.0472	0.0187
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Carboxylesterase family protein	0.0091	0.0292	0.0255
Onchocerca volvulus		0.0091	0.0292	0.2778
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0189	0.2206	0.2943
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0189	0.2206	0.2399
Onchocerca volvulus		0.0091	0.0292	0.2778
Trichomonas vaginalis	CMGC family protein kinase	0.0454	0.7398	1
Entamoeba histolytica	hypothetical protein	0.0189	0.2206	0.2943
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Schistosoma mansoni	hypothetical protein	0.0582	0.9903	1
Echinococcus multilocularis	dual specificity	0.0189	0.2206	0.1991
Brugia malayi	Protein kinase domain containing protein	0.0189	0.2206	0.2195
Entamoeba histolytica	protein kinase domain containing protein	0.0105	0.0568	0.0716
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.0568	0.0388
Entamoeba histolytica	protein kinase domain containing protein	0.0189	0.2206	0.2943
Loa Loa (eye worm)	haspin protein kinase	0.0582	0.9903	0.9904
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CMGC family protein kinase	0.0454	0.7398	1
Onchocerca volvulus		0.0091	0.0292	0.2778
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0582	0.9903	1
Echinococcus multilocularis	carboxylesterase 5A	0.0541	0.9098	0.9163
Loa Loa (eye worm)	hypothetical protein	0.0541	0.9098	0.91
Echinococcus granulosus	carboxylesterase 5A	0.0541	0.9098	0.9163
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus granulosus	acetylcholinesterase	0.0541	0.9098	0.9163
Loa Loa (eye worm)	hypothetical protein	0.0184	0.211	0.2111
Loa Loa (eye worm)	cuticular endochitinase	0.0079	0.0041	0.0041
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0454	0.7398	1
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0454	0.7398	1
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0582	0.9903	1
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0105	0.0568	0.0287
Giardia lamblia	Kinase, CMGC DYRK	0.0454	0.7398	1
Loa Loa (eye worm)	carboxylesterase	0.0541	0.9098	0.91
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0454	0.7398	0.746
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0189	0.2206	0.2399
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Endochitinase	0.0088	0.0227	0.0188
Echinococcus multilocularis	acetylcholinesterase	0.0541	0.9098	0.9163
Schistosoma mansoni	serine/threonine kinase	0.0105	0.0568	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Entamoeba histolytica	protein kinase domain containing protein	0.0454	0.7398	1
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0545	0.919	1
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.0568	0.0388
Echinococcus granulosus	acetylcholinesterase	0.0541	0.9098	0.9163
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0189	0.2206	0.2399
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CMGC family protein kinase	0.0105	0.0568	0.0388
Brugia malayi	Carboxylesterase family protein	0.0091	0.0292	0.0255
Echinococcus multilocularis	dual specificity	0.0454	0.7398	0.7394
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	AGC family protein kinase	0.0105	0.0568	0.0388
Echinococcus multilocularis	acetylcholinesterase	0.0541	0.9098	0.9163
Entamoeba histolytica	cell division protein kinase 2, putative	0.0105	0.0568	0.0716
Echinococcus granulosus	dual specificity	0.0454	0.7398	0.7394
Onchocerca volvulus		0.0125	0.0945	1
Loa Loa (eye worm)	chitinase I	0.0079	0.0041	0.0041
Entamoeba histolytica	hypothetical protein	0.01	0.0472	0.0586
Schistosoma mansoni	serine/threonine protein kinase	0.0454	0.7398	0.7394
Loa Loa (eye worm)	carboxylesterase	0.0091	0.0292	0.0292
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Trichomonas vaginalis	CMGC family protein kinase	0.0454	0.7398	1
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0105	0.0568	0.0287
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0582	0.9903	1
Trichomonas vaginalis	CMGC family protein kinase	0.0454	0.7398	1
Onchocerca volvulus	Putative endochitinase	0.0088	0.0227	0.2052
Echinococcus multilocularis	cyclin dependent kinase 9	0.0105	0.0568	0.0287
Schistosoma mansoni	protein kinase	0.0105	0.0568	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0292	0.0292
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0587	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0105	0.0568	0.0388

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	125.8925 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1591484

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1447414