TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 437.8 | Formula: C20H15ClF3N3O3
H donors: 2 H acceptors: 2 LogP: 5.17 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)Oc1ncc(c(c1)Nc1cc(Cl)ccc1C(=O)N)C(F)(F)F
InChi: 1S/C20H15ClF3N3O3/c1-29-12-3-5-13(6-4-12)30-18-9-17(15(10-26-18)20(22,23)24)27-16-8-11(21)2-7-14(16)19(25)28/h2-10H,1H3,(H2,25,28)(H,26,27)
InChiKey: UNYBVPZZEAKQRB-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 10	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04440 c-Jun N-terminal kinase, putative	Get druggable targets OG5_129677	All targets in OG5_129677
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus multilocularis	c Jun NH2 terminal kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Echinococcus granulosus	c-Jun N-terminal kinases	Get druggable targets OG5_129677	All targets in OG5_129677
Schistosoma mansoni	serine/threonine protein kinase	Get druggable targets OG5_129677	All targets in OG5_129677
Schistosoma japonicum	IPR000164,Histone H3;IPR009072,Histone-fold,domain-containing	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

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
Onchocerca volvulus	Chorion peroxidase homolog	0.0165	0.5788	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Onchocerca volvulus	Peroxidasin homolog	0.0165	0.5788	1
Echinococcus granulosus	c-Jun N-terminal kinases	0.0278	1	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Brugia malayi	Calcium binding EGF domain containing protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Brugia malayi	Animal haem peroxidase family protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Echinococcus multilocularis	neural cadherin	0.0053	0.1616	0.1616
Brugia malayi	GCC2 and GCC3 family protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	protein jagged 1	0.0053	0.1616	0.1616
Schistosoma mansoni	notch	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Schistosoma mansoni	notch	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Brugia malayi	Delta serrate ligand family protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	animal heme peroxidase	0.0165	0.5788	0.5788
Brugia malayi	Animal haem peroxidase family protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Onchocerca volvulus	Peroxidase homolog	0.0165	0.5788	1
Schistosoma mansoni	notch	0.0053	0.1616	0.1616
Echinococcus granulosus	fibropellin Ia	0.0053	0.1616	0.1616
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.1322	0.1322
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	slit 2 protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1322	0.1322
Brugia malayi	Calcium binding EGF domain containing protein	0.0053	0.1616	0.1616
Schistosoma mansoni	slit	0.0053	0.1616	0.1616
Loa Loa (eye worm)	notch protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Onchocerca volvulus	Putative cubilin	0.0053	0.1616	0.2792
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.1322	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Echinococcus multilocularis	neurogenic locus protein delta	0.0053	0.1616	0.1616
Echinococcus granulosus	slit 2 protein	0.0053	0.1616	0.1616
Brugia malayi	Animal haem peroxidase family protein	0.0165	0.5788	0.5788
Onchocerca volvulus	Neurogenic locus notch homolog	0.0053	0.1616	0.2792
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus granulosus	neurogenic locus notch protein	0.0053	0.1616	0.1616
Onchocerca volvulus	Peroxidasin homolog	0.0165	0.5788	1
Toxoplasma gondii	EGF family domain-containing protein	0.0053	0.1616	0.5
Echinococcus granulosus	peroxidasin	0.0165	0.5788	0.5788
Onchocerca volvulus		0.0165	0.5788	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1322	0.1322
Echinococcus granulosus	neurogenic locus notch protein 4	0.0053	0.1616	0.1616
Schistosoma mansoni	peroxidasin	0.0165	0.5788	0.5788
Loa Loa (eye worm)	animal heme peroxidase	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Brugia malayi	notch-like transmembrane receptor	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Schistosoma mansoni	septate junction protein	0.0053	0.1616	0.1616
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1322	0.1322
Echinococcus granulosus	protein jagged 1	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus granulosus	protein jagged 2	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Schistosoma mansoni	notch	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	protein jagged 2	0.0053	0.1616	0.1616
Echinococcus granulosus	neurogenic locus notch protein	0.0053	0.1616	0.1616
Brugia malayi	Blistered cuticle protein 3	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Giardia lamblia	High cysteine protein	0.0053	0.1616	0.5
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.1322	0.1322
Echinococcus granulosus	notch	0.0053	0.1616	0.1616
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0053	0.1616	0.1616
Brugia malayi	hypothetical protein	0.0165	0.5788	0.5788
Brugia malayi	Muscle positioning protein 4	0.0053	0.1616	0.1616
Onchocerca volvulus	Peroxidase homolog	0.0165	0.5788	1
Schistosoma mansoni	peroxidasin	0.0165	0.5788	0.5788
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1322	0.1322
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Brugia malayi	Cadherin domain containing protein	0.0053	0.1616	0.1616
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	neurogenic locus notch protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Onchocerca volvulus		0.0053	0.1616	0.2792
Onchocerca volvulus		0.0165	0.5788	1
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Schistosoma mansoni	notch	0.0053	0.1616	0.1616
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	notch	0.0053	0.1616	0.1616
Echinococcus granulosus	protein jagged 2	0.0053	0.1616	0.1616
Onchocerca volvulus		0.0053	0.1616	0.2792
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.1322	0.1322
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus granulosus	protein jagged 1	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Schistosoma mansoni	cell polarity protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	Notch2	0.0053	0.1616	0.1616
Echinococcus multilocularis	fibropellin Ia	0.0053	0.1616	0.1616
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0053	0.1616	0.2792
Echinococcus granulosus	delta-like protein 1	0.0053	0.1616	0.1616
Brugia malayi	Animal haem peroxidase family protein	0.0165	0.5788	0.5788
Echinococcus granulosus	neural cadherin	0.0053	0.1616	0.1616
Onchocerca volvulus		0.0053	0.1616	0.2792
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Onchocerca volvulus		0.0165	0.5788	1
Onchocerca volvulus		0.0053	0.1616	0.2792
Onchocerca volvulus	Dual oxidase homolog	0.0165	0.5788	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.1322	0.1322
Echinococcus multilocularis	peroxidasin	0.0165	0.5788	0.5788
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Brugia malayi	Animal haem peroxidase family protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	animal heme peroxidase	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0278	1	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus granulosus	neurogenic locus protein delta	0.0053	0.1616	0.1616
Loa Loa (eye worm)	animal heme peroxidase	0.0165	0.5788	0.5788
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Schistosoma mansoni	serine/threonine protein kinase	0.0278	1	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Schistosoma mansoni	laminin gamma-3 chain	0.0053	0.1616	0.1616
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0278	1	1
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Schistosoma mansoni	notch	0.0053	0.1616	0.1616
Onchocerca volvulus		0.0053	0.1616	0.2792
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	neurogenic locus notch protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	blistered cuticle protein 3	0.0165	0.5788	0.5788
Onchocerca volvulus	Slit protein homolog	0.0053	0.1616	0.2792
Brugia malayi	Cadherin domain containing protein	0.0053	0.1616	0.1616
Brugia malayi	EGF-like domain containing protein	0.0053	0.1616	0.1616
Brugia malayi	Peroxidasin	0.0165	0.5788	0.5788
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1616	0.1616
Echinococcus multilocularis	protein jagged 1	0.0053	0.1616	0.1616
Schistosoma mansoni	hypothetical protein	0.0053	0.1616	0.1616
Loa Loa (eye worm)	hypothetical protein	0.0165	0.5788	0.5788

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.078 uM	Inhibition of JNK3 using biotinylated-ATF2 as substrate by HTRF assay	ChEMBL.	22004719

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: CHEMBL1923210

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 1579861