TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 289.323 | Formula: C16H17F2N3
H donors: 1 H acceptors: 0 LogP: 3.53 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)F)CC1=CN2C(C=C1)NN=C2C(C)C
InChi: 1S/C16H17F2N3/c1-10(2)16-20-19-15-6-3-11(9-21(15)16)7-12-4-5-13(17)8-14(12)18/h3-6,8-10,15,19H,7H2,1-2H3
InChiKey: SVULPLWDQXNYOX-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

No synonyms found for this compound

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
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
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 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
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
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
Echinococcus granulosus	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
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 11	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 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
Brugia malayi	P38 map kinase family protein 2	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
Trypanosoma congolense	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
Candida albicans	MAP kinase involved in osmoregulation	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
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0045	0.0589	0.1143
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0056	0.0056
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0045	0.0589	1
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.2163	0.2163
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.2163	0.5508
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0045	0.0589	0.1143
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0105	0.1474	0.1474
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0488	0.0488
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0263	0.3783	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0036	0.0465	0.0465
Echinococcus granulosus	cpg binding protein	0.0036	0.0456	0.0456
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.2163	0.2163
Brugia malayi	F/Y-rich N-terminus family protein	0.001	0.0085	0.0085
Echinococcus granulosus	geminin	0.0178	0.2545	0.2545
Echinococcus granulosus	anti dorsalizing morphogenetic protein 1a	0.0676	0.9848	0.9848
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0045	0.0589	0.0589
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0034	0.0427	0.0427
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0045	0.0589	0.1143
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0045	0.0589	1
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0263	0.3783	1
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.2163	0.5508
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.2163	0.2163
Brugia malayi	CXXC zinc finger family protein	0.0034	0.0427	0.0427
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0036	0.0465	0.0465
Entamoeba histolytica	hypothetical protein	0.0038	0.0488	0.8282
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0045	0.0589	0.0589
Echinococcus multilocularis	isocitrate dehydrogenase	0.0017	0.0177	0.0177
Echinococcus multilocularis	geminin	0.0178	0.2545	0.2545
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Entamoeba histolytica	hypothetical protein	0.0038	0.0488	0.8282
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0036	0.0465	0.0465
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0046	0.0775
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0017	0.0177	0.0177
Brugia malayi	isocitrate dehydrogenase	0.0017	0.0177	0.0177
Schistosoma mansoni	hypothetical protein	0.0036	0.0465	0.0465
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0017	0.0177	0.0177
Brugia malayi	Latrophilin receptor protein 2	0.0036	0.0465	0.0465
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0045	0.0589	0.1143
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0045	0.0589	0.1143
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0105	0.1474	0.1474
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0056	0.0056
Schistosoma mansoni	cpg binding protein	0.0036	0.0456	0.0456
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0177	0.0177
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0105	0.1474	0.1474
Schistosoma mansoni	hypothetical protein	0.048	0.6963	0.6963
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0064	0.0869	0.1918
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0263	0.3783	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0465	0.0465
Schistosoma mansoni	cpg binding protein	0.0036	0.0456	0.0456
Schistosoma mansoni	hypothetical protein	0.0036	0.0465	0.0465
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0177	0.0177
Schistosoma mansoni	hypothetical protein	0.0038	0.0488	0.0488
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0071	0.0981	0.0981
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0017	0.0177	0.0177
Entamoeba histolytica	hypothetical protein	0.0038	0.0488	0.8282
Brugia malayi	latrophilin 2 splice variant baaae	0.0078	0.1081	0.1081
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0263	0.3783	1
Schistosoma mansoni	cpg binding protein	0.0034	0.0427	0.0427
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0115	0.1612	0.1612
Trichomonas vaginalis	helicase, putative	0.0008	0.0046	0.0775
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0045	0.0589	0.1143
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0045	0.0589	0.0589
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0046	0.0775
Echinococcus granulosus	GPCR family 2	0.0036	0.0465	0.0465
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0045	0.0589	0.1143
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0036	0.0465	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0115	0.1612	0.1612
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0105	0.1474	0.1474
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0046	0.0775
Schistosoma mansoni	hypothetical protein	0.0178	0.2545	0.2545
Schistosoma mansoni	hypothetical protein	0.0078	0.1081	0.1081
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.2163	0.2163
Echinococcus multilocularis	dnaJ subfamily B	0.048	0.6963	0.6963
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0105	0.1474	0.1474
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0465	0.0465
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0045	0.0589	0.0589
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0087	0.0087
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0017	0.0177	0.0177
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0488	0.0488
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Echinococcus granulosus	dnaJ subfamily B	0.048	0.6963	0.6963
Brugia malayi	hypothetical protein	0.0038	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0078	0.1081	0.1081
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.2163	0.5508
Schistosoma mansoni	hypothetical protein	0.0178	0.2545	0.2545
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0263	0.3783	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0036	0.0465	0.0465
Echinococcus multilocularis	cpg binding protein	0.0036	0.0456	0.0456
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0045	0.0589	0.0589
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0045	0.0589	1
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.2163	0.2163
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.2163	0.5508
Schistosoma mansoni	hypothetical protein	0.0036	0.0465	0.0465
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0087	0.0087
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0263	0.3783	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0115	0.1612	0.1612
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0105	0.1474	0.1474
Onchocerca volvulus		0.0034	0.0427	1
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0017	0.0177	0.0177
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0046	0.0775
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0046	0.0775
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0105	0.1474	0.1474
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0005	0.0005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0115	0.1612	0.1612
Brugia malayi	P38 map kinase family protein 2	0.0152	0.2163	0.2163
Echinococcus multilocularis	anti dorsalizing morphogenetic protein 1a	0.0676	0.9848	0.9848
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0046	0.0775
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.2163	0.2163
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0105	0.1474	0.1474
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0045	0.0589	0.0589
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0087	0.0087
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0056	0.0056
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0046	0.0775
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0056	0.0056
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0105	0.1474	0.1474
Echinococcus multilocularis	GPCR, family 2	0.0036	0.0465	0.0465
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0488	0.0488
Brugia malayi	Isocitrate dehydrogenase	0.0017	0.0177	0.0177
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.2163	0.2163
Entamoeba histolytica	hypothetical protein	0.0038	0.0488	0.8282
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0036	0.0465	0.0465
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0045	0.0589	0.0589
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0046	0.0775
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0046	0.0775

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 26.1 nM	Inhibition of p38 alpha	ChEMBL.	19969459

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: CHEMBL607557

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 1184934