TDR Targets

Basic information

Technical information

TDR Targets ID: 830450
Name: N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4,5,6, 7-tetrahydroindazol-2-yl)acetamide
MW: 366.228 | Formula: C16H17BrFN3O
H donors: 1 H acceptors: 2 LogP: 3.51 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCc2c(C1)cn(n2)CC(=O)Nc1ccc(cc1F)Br
InChi: 1S/C16H17BrFN3O/c1-10-2-4-14-11(6-10)8-21(20-14)9-16(22)19-15-5-3-12(17)7-13(15)18/h3,5,7-8,10H,2,4,6,9H2,1H3,(H,19,22)
InChiKey: BIPTVKVFVHBHNA-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

N-(4-bromo-2-fluoro-phenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
N-(4-bromo-2-fluoro-phenyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)ethanamide

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
Trichomonas vaginalis	AGC family protein kinase	0.0164	0.0102	0.2936
Schistosoma mansoni	protein kinase C	0.0172	0.0225	0.0289
Echinococcus granulosus	unc 13 munc13	0.0172	0.0225	0.0289
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Loa Loa (eye worm)	hypothetical protein	0.0423	0.4242	0.4242
Loa Loa (eye worm)	hypothetical protein	0.0619	0.7373	0.7373
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0164	0.0102	0.0102
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0164	0.0102	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0344	0.2973	0.2973
Echinococcus granulosus	protein kinase c epsilon type	0.0645	0.7801	1
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Loa Loa (eye worm)	hypothetical protein	0.0619	0.7373	0.7373
Echinococcus granulosus	myotubularin protein 13	0.0169	0.0185	0.0238
Echinococcus multilocularis	serine threonine protein kinase	0.0443	0.4569	0.5857
Echinococcus multilocularis	RNA directed DNA polymerase	0.0265	0.1717	0.2202
Entamoeba histolytica	protein kinase, putative	0.0164	0.0102	0.0379
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0164	0.0102	0.0131
Schistosoma mansoni	serine/threonine protein kinase	0.0164	0.0102	0.0131
Schistosoma mansoni	vav2	0.0169	0.0185	0.0238
Toxoplasma gondii	AGC kinase	0.0164	0.0102	1
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Schistosoma mansoni	serine/threonine protein kinase	0.0164	0.0102	0.0131
Brugia malayi	Protein kinase domain containing protein	0.0164	0.0102	0.0131
Echinococcus granulosus	NDR protein kinase	0.0164	0.0102	0.0131
Echinococcus multilocularis	unc 13 (munc13)	0.0172	0.0225	0.0289
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0326	0.2687	1
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0176	0.0287	0.5
Echinococcus multilocularis	protein kinase c iota type	0.0507	0.5583	0.7157
Schistosoma mansoni	serine/threonine protein kinase	0.0163	0.0077	0.0099
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0164	0.0102	0.0102
Loa Loa (eye worm)	hypothetical protein	0.0777	0.9898	0.9898
Onchocerca volvulus		0.0344	0.2973	0.3844
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0164	0.0102	0.0131
Brugia malayi	Hr1 repeat family protein	0.0164	0.0102	0.0131
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0265	0.1717	0.2202
Schistosoma mansoni	serine/threonine protein kinase	0.0164	0.0102	0.0131
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0172	0.0225	0.0289
Brugia malayi	C1-like domain containing protein	0.0506	0.5575	0.7146
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0163	0.0077	0.0099
Brugia malayi	Protein kinase domain containing protein	0.0164	0.0102	0.0131
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0163	0.0077	0.0099
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0284	0.202	0.202
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0361	0.325	0.325
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0164	0.0102	0.0131
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0348	0.305	0.305
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0164	0.0102	0.0102
Onchocerca volvulus		0.0513	0.5683	0.7635
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0164	0.0102	0.0102
Schistosoma mansoni	atypical protein kinase C	0.052	0.58	0.7435
Trichomonas vaginalis	AGC family protein kinase	0.0164	0.0102	0.2936
Brugia malayi	Pleckstrin Homology Domain	0.0169	0.0185	0.0238
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Schistosoma mansoni	serine/threonine protein kinase	0.0164	0.0102	0.0131
Brugia malayi	Protein kinase domain containing protein	0.0176	0.0287	0.0368
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Brugia malayi	protein kinase C II.	0.0645	0.7801	1
Entamoeba histolytica	protein kinase, putative	0.0164	0.0102	0.0379
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0176	0.0287	0.0287
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0164	0.0102	0.0102
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0164	0.0102	0.0131
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0172	0.0225	0.0289
Echinococcus multilocularis	protein kinase c epsilon type	0.0645	0.7801	1
Echinococcus granulosus	Protein kinase C brain isozyme	0.0601	0.7094	0.9094
Schistosoma mansoni	serine/threonine protein kinase	0.0601	0.7094	0.9094
Echinococcus granulosus	protein kinase C gamma type	0.0443	0.4569	0.5857
Loa Loa (eye worm)	hypothetical protein	0.0619	0.7373	0.7373
Brugia malayi	p70 ribosomal S6 kinase beta	0.0164	0.0102	0.0131
Brugia malayi	Protein kinase domain containing protein	0.0163	0.0077	0.0099
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0506	0.5575	0.5575
Entamoeba histolytica	protein kinase, putative	0.0176	0.0287	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0501	0.5498	0.5498
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0506	0.5575	0.7146
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0645	0.7801	0.7801
Onchocerca volvulus		0.0619	0.7373	1
Echinococcus multilocularis	myotubularin protein 13	0.0169	0.0185	0.0238
Schistosoma mansoni	serine/threonine kinase	0.0164	0.0102	0.0131
Loa Loa (eye worm)	hypothetical protein	0.0169	0.0185	0.0185
Entamoeba histolytica	protein kinase, putative	0.0176	0.0287	0.1069
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0164	0.0102	0.0131
Schistosoma mansoni	serine/threonine protein kinase	0.0163	0.0077	0.0099
Echinococcus granulosus	serine:threonine protein kinase N2	0.0164	0.0102	0.0131
Schistosoma mansoni	unc-13 (munc13)	0.0172	0.0225	0.0289
Echinococcus granulosus	serine:threonine protein kinase N2	0.0314	0.2501	0.3207
Loa Loa (eye worm)	hypothetical protein	0.0513	0.5683	0.5683
Schistosoma mansoni	serine/threonine protein kinase	0.0601	0.7094	0.9094
Echinococcus granulosus	RNA directed DNA polymerase	0.0265	0.1717	0.2202
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0164	0.0102	0.0131
Schistosoma mansoni	protein kinase C mu	0.0506	0.5575	0.7146
Brugia malayi	Protein kinase c protein 2	0.0442	0.4544	0.5825
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0164	0.0102	0.0131
Trichomonas vaginalis	AGC family protein kinase	0.0164	0.0102	0.2936
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0225	0.0225
Schistosoma mansoni	unc-13 (munc13)	0.0172	0.0225	0.0289
Trichomonas vaginalis	AGC family protein kinase	0.0176	0.0287	1
Onchocerca volvulus		0.0501	0.5498	0.7376
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0164	0.0102	0.0131
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0474	0.5051	0.6475
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0601	0.7094	0.9094
Brugia malayi	protein kinase C3,putative	0.0347	0.3033	0.3889
Loa Loa (eye worm)	hypothetical protein	0.0265	0.1717	0.1717
Loa Loa (eye worm)	hypothetical protein	0.0344	0.2973	0.2973
Echinococcus granulosus	protein kinase c iota type	0.0507	0.5583	0.7157
Schistosoma mansoni	serine/threonine protein kinase	0.0645	0.7801	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 830450