TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 367.4 | Formula: C18H14FN5OS
H donors: 2 H acceptors: 3 LogP: 2.94 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1ccc(cc1)NC(=O)c1cc(Sc2nccn2C)c(cc1N)F
InChi: 1S/C18H14FN5OS/c1-24-7-6-22-18(24)26-16-8-13(15(21)9-14(16)19)17(25)23-12-4-2-11(10-20)3-5-12/h2-9H,21H2,1H3,(H,23,25)
InChiKey: ZZZLHEAQQDWBLN-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

No synonyms found for this compound

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
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.006	0.1298	1
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Loa Loa (eye worm)	cyclin domain-containing protein	0.0035	0.0455	0.0455
Plasmodium vivax	NIMA-related protein kinase (Pfnek-1), putative	0.0107	0.2918	0.8608
Echinococcus granulosus	Glutaredoxin protein 5	0.0111	0.3061	0.2893
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0062	0.138	0.1171
Trypanosoma cruzi	cyclin, putative	0.006	0.1298	0.1691
Brugia malayi	Protein kinase domain containing protein	0.0176	0.527	0.527
Trichomonas vaginalis	CMGC family protein kinase	0.0048	0.0885	0.0521
Echinococcus granulosus	cyclin dependent kinase 5	0.0048	0.0885	0.0663
Echinococcus granulosus	serine:threonine protein kinase N2	0.0062	0.138	0.1171
Brugia malayi	cell division control protein 2 homolog	0.0048	0.0885	0.0885
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0062	0.138	0.138
Giardia lamblia	Kinase, NEK	0.0107	0.2918	0.8822
Trichomonas vaginalis	cyclins, putative	0.006	0.1298	0.095
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0062	0.138	0.1171
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0455	0.0074
Echinococcus multilocularis	rac serine:threonine kinase	0.0119	0.3326	0.3164
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0035	0.0455	0.0223
Toxoplasma gondii	AGC kinase	0.0173	0.519	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0699	0.0699
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0035	0.0455	0.0223
Onchocerca volvulus		0.006	0.1298	1
Echinococcus granulosus	cyclins	0.0035	0.0455	0.0223
Entamoeba histolytica	protein kinase, putative	0.0176	0.527	0.5044
Entamoeba histolytica	protein kinase, putative	0.0314	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0176	0.527	0.527
Entamoeba histolytica	protein kinase, putative	0.0062	0.138	0.0969
Brugia malayi	Protein kinase domain containing protein	0.0314	1	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0048	0.0885	0.0663
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0062	0.138	0.1171
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0314	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0048	0.0885	0.0663
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0314	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0048	0.0885	0.0663
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0048	0.0885	0.0663
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Echinococcus granulosus	NDR protein kinase	0.0062	0.138	0.1171
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Echinococcus granulosus	cyclins	0.0035	0.0455	0.0223
Trichomonas vaginalis	cyclins, putative	0.006	0.1298	0.095
Leishmania major	cyclin	0.006	0.1298	1
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0117	0.3247	0.3083
Echinococcus multilocularis	cyclin dependent kinase 1	0.0048	0.0885	0.0663
Entamoeba histolytica	protein kinase, putative	0.0173	0.519	0.4961
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0062	0.138	0.138
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0117	0.3247	0.9675
Entamoeba histolytica	protein kinase, putative	0.0176	0.527	0.5044
Echinococcus multilocularis	Glutaredoxin protein 5	0.0111	0.3061	0.2893
Entamoeba histolytica	cyclin, putative	0.006	0.1298	0.0883
Trichomonas vaginalis	cyclin D, putative	0.0035	0.0455	0.0074
Trichomonas vaginalis	cyclin B3, putative	0.0035	0.0455	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0094	0.0094
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0062	0.138	0.138
Echinococcus multilocularis	cyclin B3 1	0.0035	0.0455	0.0223
Echinococcus granulosus	protein kinase c iota type	0.0062	0.138	0.1171
Echinococcus multilocularis	cyclin B	0.006	0.1298	0.1086
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0062	0.138	0.1171
Schistosoma mansoni	serine/threonine-protein kinase	0.0119	0.3326	0.3164
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0062	0.138	0.1171
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0119	0.3326	0.3008
Giardia lamblia	Kinase, NEK	0.0107	0.2918	0.8822
Echinococcus granulosus	cyclin B	0.006	0.1298	0.1086
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0057	0.1195	0.0843
Echinococcus granulosus	cyclins	0.0035	0.0455	0.0223
Loa Loa (eye worm)	hypothetical protein	0.006	0.1298	0.1298
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0117	0.3247	1
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.2918	0.2635
Echinococcus granulosus	cyclins	0.0035	0.0455	0.0223
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0173	0.519	0.519
Brugia malayi	Cyclin, N-terminal domain containing protein	0.006	0.1298	0.1298
Brugia malayi	protein kinase C II.	0.0062	0.138	0.138
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0035	0.0455	0.0455
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0119	0.3326	1
Brugia malayi	Cyclin, N-terminal domain containing protein	0.006	0.1298	0.1298
Giardia lamblia	G2/mitotic-specific cyclin B	0.006	0.1298	0.3018
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.138	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0062	0.138	0.138
Schistosoma mansoni	serine/threonine-protein kinase	0.0119	0.3326	0.3164
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0062	0.138	0.1171
Giardia lamblia	Kinase, AGC PKA	0.0117	0.3247	1
Echinococcus multilocularis	serine threonine protein kinase	0.0062	0.138	0.1171
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Echinococcus multilocularis	protein kinase c iota type	0.0062	0.138	0.1171
Trypanosoma cruzi	CYC2-like cyclin, putative	0.006	0.1298	0.1691
Schistosoma mansoni	serine/threonine kinase	0.0062	0.138	0.1171
Echinococcus granulosus	Protein kinase C brain isozyme	0.0062	0.138	0.1171
Brugia malayi	hypothetical protein	0.0029	0.0237	0.0237
Entamoeba histolytica	protein kinase 2, putative	0.0117	0.3247	0.2925
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0111	0.3061	0.2893
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0117	0.3247	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0237	0.0237
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0117	0.3247	0.3083
Echinococcus granulosus	cyclin dependent kinase 1	0.0048	0.0885	0.0663
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Trichomonas vaginalis	cyclin A, putative	0.006	0.1298	0.095
Plasmodium falciparum	protein kinase 5	0.0048	0.0885	0.1538
Trichomonas vaginalis	cyclin B, putative	0.006	0.1298	0.095
Brugia malayi	Hr1 repeat family protein	0.0062	0.138	0.138
Trichomonas vaginalis	cyclins, putative	0.0035	0.0455	0.0074
Echinococcus granulosus	nervana 2	0.0111	0.3061	0.2893
Echinococcus granulosus	nervana 2	0.0111	0.3061	0.2893
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.138	0.1036
Brugia malayi	Protein kinase domain containing protein	0.0062	0.138	0.138
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0062	0.138	0.138
Entamoeba histolytica	cell division protein kinase 2, putative	0.0048	0.0885	0.045
Brugia malayi	p70 ribosomal S6 kinase beta	0.0173	0.519	0.519
Brugia malayi	Protein kinase domain containing protein	0.0062	0.138	0.138
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0314	1	1
Trichomonas vaginalis	STE family protein kinase	0.0107	0.2918	0.2635
Trypanosoma cruzi	Protein kinase B	0.0119	0.3326	1
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Echinococcus multilocularis	cyclin dependent kinase 5	0.0048	0.0885	0.0663
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Trypanosoma brucei	mitotic cyclin 6	0.006	0.1298	0.0942
Trichomonas vaginalis	AGC family protein kinase	0.0314	1	1
Echinococcus granulosus	cyclin B3 1	0.0035	0.0455	0.0223
Giardia lamblia	Kinase, CMGC CDK	0.0048	0.0885	0.1538
Plasmodium falciparum	NIMA related kinase 1	0.0107	0.2918	0.8822
Echinococcus granulosus	cyclin dependent kinase	0.0048	0.0885	0.0663
Echinococcus multilocularis	cyclin b3	0.0035	0.0455	0.0223
Echinococcus multilocularis	cyclin dependent kinase	0.0048	0.0885	0.0663
Trichomonas vaginalis	AGC family protein kinase	0.0314	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Schistosoma mansoni	serine/threonine protein kinase	0.0314	1	1
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0062	0.138	0.1171
Trichomonas vaginalis	cyclin D, putative	0.0035	0.0455	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0237	0.0237
Schistosoma mansoni	cyclins	0.0035	0.0455	0.0223
Trichomonas vaginalis	AGC family protein kinase	0.0314	1	1
Giardia lamblia	Kinase, NEK	0.0107	0.2918	0.8822
Trichomonas vaginalis	CMGC family protein kinase	0.0048	0.0885	0.0521
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0111	0.3061	0.2893
Trichomonas vaginalis	cyclin B, putative	0.006	0.1298	0.095
Trichomonas vaginalis	CMGC family protein kinase	0.0048	0.0885	0.0521
Echinococcus granulosus	serine threonine protein kinase nrc	0.0117	0.3247	0.3083
Trichomonas vaginalis	cyclins, putative	0.006	0.1298	0.095
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0176	0.527	1
Trichomonas vaginalis	cyclin B, putative	0.006	0.1298	0.095
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0062	0.138	0.138
Brugia malayi	Protein kinase domain containing protein	0.0247	0.7692	0.7692
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0048	0.0885	0.0885
Trypanosoma cruzi	cyclin 6, putative	0.006	0.1298	0.1691
Trichomonas vaginalis	AGC family protein kinase	0.0065	0.1459	0.1118
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Entamoeba histolytica	cell division protein kinase 2, putative	0.0048	0.0885	0.045
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Giardia lamblia	Kinase, CMGC CDK	0.0048	0.0885	0.1538
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0314	1	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0048	0.0885	0.1433
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0119	0.3326	0.3008
Echinococcus granulosus	serine/threonine protein kinase	0.0119	0.3326	0.3164
Schistosoma mansoni	atypical protein kinase C	0.0062	0.138	0.1171
Echinococcus multilocularis	protein kinase c epsilon type	0.0062	0.138	0.1171
Toxoplasma gondii	NIMA-related protein kinase NIMA1	0.0107	0.2918	0.5478
Echinococcus granulosus	protein kinase C gamma type	0.0062	0.138	0.1171
Trichomonas vaginalis	cyclin B, putative	0.0035	0.0455	0.0074
Echinococcus multilocularis	nervana 2	0.0111	0.3061	0.2893
Schistosoma mansoni	serine/threonine protein kinase	0.0062	0.138	0.1171
Echinococcus granulosus	protein kinase c epsilon type	0.0062	0.138	0.1171
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Schistosoma mansoni	cyclin B	0.006	0.1298	0.1086
Echinococcus multilocularis	nervana 2	0.0111	0.3061	0.2893
Schistosoma mansoni	cyclin B3	0.0035	0.0455	0.0223
Echinococcus granulosus	cyclin b3	0.0035	0.0455	0.0223
Brugia malayi	Protein kinase domain containing protein	0.0048	0.0885	0.0885
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0237	0.0237
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.527	0.5081
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0062	0.138	0.1171
Loa Loa (eye worm)	TK/ALK protein kinase	0.0247	0.769	0.769
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0062	0.138	0.138
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Echinococcus multilocularis	cyclins	0.0035	0.0455	0.0223
Echinococcus granulosus	cyclins	0.0035	0.0455	0.0223
Trichomonas vaginalis	cyclin B, putative	0.006	0.1298	0.095
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0062	0.138	0.1171
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0062	0.138	0.1171
Trypanosoma cruzi	cyclin, putative	0.006	0.1298	0.1691
Loa Loa (eye worm)	hypothetical protein	0.006	0.1298	0.1298
Trichomonas vaginalis	AGC family protein kinase	0.0062	0.138	0.1036
Loa Loa (eye worm)	hypothetical protein	0.0212	0.6498	0.6498
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0048	0.0885	0.0885
Trichomonas vaginalis	cyclins, putative	0.006	0.1298	0.095
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0048	0.0885	0.0885

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 96.1 uM	Inhibition of rabbit muscle GPa	ChEMBL.	17719791

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

No external resources registered for this compound

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 451362