TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.218 | Formula: C18H14BrFN2O2
H donors: 0 H acceptors: 2 LogP: 3.77 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)COc1cc(C)n(c(=O)c1Br)c1ccccn1
InChi: 1S/C18H14BrFN2O2/c1-12-10-15(24-11-13-5-7-14(20)8-6-13)17(19)18(23)22(12)16-4-2-3-9-21-16/h2-10H,11H2,1H3
InChiKey: KBBUUCXOXWJCLQ-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
Trypanosoma cruzi	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 brucei	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
Trypanosoma cruzi	mitogen-activated protein 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
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	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
Echinococcus granulosus	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
Brugia malayi	P38 map kinase family protein 2	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 congolense	mitogen-activated protein kinase 3, putative	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
Candida albicans	MAP kinase involved in osmoregulation	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
Leishmania braziliensis	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
Leishmania mexicana	mitogen-activated protein kinase 3, putative,map 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

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
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.6979	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0481	0.069
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.2018	0.2892
Schistosoma mansoni	hypothetical protein	0.0019	0.0269	0.088
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0269	0.0386
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Brugia malayi	RNA binding protein	0.0074	0.3057	0.2865
Loa Loa (eye worm)	RNA binding protein	0.0074	0.3057	0.2865
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0269	0.0386
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0481	0.0526
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3057	1
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3057	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0481	0.0218
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.2018	0.2892
Plasmodium vivax	ataxin-2 like protein, putative	0.003	0.0837	0.5
Echinococcus granulosus	tar DNA binding protein	0.0074	0.3057	0.438
Brugia malayi	hypothetical protein	0.003	0.0837	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1371	0.1133
Schistosoma mansoni	hypothetical protein	0.0019	0.0269	0.088
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.6979	1
Trypanosoma brucei	PAB1-binding protein , putative	0.003	0.0837	0.1045
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3057	1
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.6979	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0074	0.3057	0.2865
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3057	1
Trypanosoma brucei	mitogen-activated protein kinase 3, putative	0.0152	0.6979	1
Leishmania major	hypothetical protein, conserved	0.003	0.0837	0.0547
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0481	0.5
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0481	0.5
Schistosoma mansoni	hypothetical protein	0.0019	0.0269	0.088
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0837	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0054	0.2018	0.2892
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.2018	0.6602
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2321	0.2109
Trypanosoma cruzi	mitogen-activated protein kinase 3, putative	0.0152	0.6979	1
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0481	0.069
Schistosoma mansoni	hypothetical protein	0.0041	0.1371	0.4486
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0481	0.069
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0837	0.0547
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0481	0.069
Loa Loa (eye worm)	CMGC/MAPK/P38 protein kinase	0.0152	0.6979	0.6895
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0481	0.1575
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0481	0.0526
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0481	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0481	0.5
Echinococcus granulosus	mitogen activated protein kinase 11	0.0152	0.6979	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0481	0.0218
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0481	0.1575
Brugia malayi	hypothetical protein	0.0019	0.0299	0.0031
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0481	0.0218
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0054	0.2018	0.2892
Schistosoma mansoni	tar DNA-binding protein	0.0074	0.3057	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Loa Loa (eye worm)	TAR-binding protein	0.0074	0.3057	0.2865
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0054	0.2018	0.1797
Leishmania major	mitogen-activated protein kinase 3, putative,map kinase 3, putative	0.0152	0.6979	1
Brugia malayi	RNA recognition motif domain containing protein	0.0074	0.3057	0.2865
Loa Loa (eye worm)	hypothetical protein	0.003	0.0837	0.0584
Trypanosoma cruzi	PAB1-binding protein , putative	0.003	0.0837	0.0547
Toxoplasma gondii	LsmAD domain-containing protein	0.003	0.0837	0.5
Echinococcus granulosus	dna polymerase eta	0.0023	0.0481	0.069
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0269	0.0386
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0269	0.0386
Schistosoma mansoni	hypothetical protein	0.0019	0.0269	0.088
Plasmodium falciparum	ataxin-2 like protein, putative	0.003	0.0837	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.2018	0.6602
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0481	0.0218
Loa Loa (eye worm)	hypothetical protein	0.006	0.2321	0.2109
Echinococcus multilocularis	mitogen activated protein kinase 11	0.0152	0.6979	1
Trichomonas vaginalis	conserved hypothetical protein	0.0206	0.9708	1
Echinococcus granulosus	mitogen activated protein kinase 14	0.0152	0.6979	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0054	0.2018	0.1797
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0054	0.2018	0.6602
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0481	0.0526
Echinococcus granulosus	GPCR family 2	0.0019	0.0269	0.0386
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0481	0.0526
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0481	0.069
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1371	0.1133
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0481	0.5
Brugia malayi	P38 map kinase family protein 2	0.0152	0.6979	0.6895
Echinococcus multilocularis	tar DNA binding protein	0.0074	0.3057	0.438
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0269	0.0386
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0481	0.1575
Brugia malayi	TAR-binding protein	0.0074	0.3057	0.2865
Trypanosoma brucei	unspecified product	0.0023	0.0481	0.0526
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2321	0.2109
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0481	0.0526
Echinococcus multilocularis	mitogen activated protein kinase 14	0.0152	0.6979	1
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0023	0.0481	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2321	0.2109

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 uM	Inhibition of p38alpha	ChEMBL.	19751974
IC50 (binding)	> 200 uM	Inhibition of JNK2	ChEMBL.	19751974

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: CHEMBL1080219

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 1124925