TDR Targets

Basic information

Technical information

TDR Targets ID: 1804468
Name: N-tert-butyl-N'-decanoyl-3,5-dimethylbenzohyd razide
MW: 374.56 | Formula: C23H38N2O2
H donors: 1 H acceptors: 2 LogP: 6.68 Rotable bonds: 13
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCCC(=O)NN(C(C)(C)C)C(=O)c1cc(C)cc(c1)C
InChi: 1S/C23H38N2O2/c1-7-8-9-10-11-12-13-14-21(26)24-25(23(4,5)6)22(27)20-16-18(2)15-19(3)17-20/h15-17H,7-14H2,1-6H3,(H,24,26)
InChiKey: CIXNGAWSWRQOFC-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-tert-butyl-N'-decanoyl-3,5-dimethyl-benzohydrazide
N-tert-butyl-3,5-dimethyl-N'-(1-oxodecyl)benzohydrazide
N-tert-butyl-N'-capryl-3,5-dimethyl-benzohydrazide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bombyx mori	Ecdysone receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	ecdysteroid receptor	Get druggable targets OG5_134445	All targets in OG5_134445
Onchocerca volvulus	Bile acid receptor homolog	Get druggable targets OG5_134445	All targets in OG5_134445
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_134445	All targets in OG5_134445

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
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Echinococcus granulosus	serine threonine protein kinase nrc	0.0179	0.5824	0.5824
Brugia malayi	serine/threonine-protein kinase 6	0.0299	1	1
Entamoeba histolytica	serine/threonine protein kinase 6, putative	0.0299	1	1
Schistosoma mansoni	serine/threonine kinase	0.0094	0.2837	0.2837
Echinococcus multilocularis	nervana 2	0.0175	0.5671	0.5671
Trichomonas vaginalis	AGC family protein kinase	0.0094	0.2837	0.0209
Echinococcus multilocularis	rac serine:threonine kinase	0.0179	0.5824	0.5824
Loa Loa (eye worm)	hypothetical protein	0.0197	0.6461	0.6461
Trichomonas vaginalis	AGC family protein kinase	0.0299	1	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0179	0.5824	0.5824
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0094	0.2837	0.2837
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0094	0.2837	0.2837
Trypanosoma cruzi	aurora B kinase, putative	0.0299	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0094	0.2837	0.2837
Entamoeba histolytica	protein kinase , putative	0.0299	1	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0094	0.2837	0.2837
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Entamoeba histolytica	protein kinase 2, putative	0.0179	0.5824	0.417
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0094	0.2837	0.2837
Echinococcus multilocularis	Glutaredoxin protein 5	0.0175	0.5671	0.5671
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0268	0.8934	0.8934
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0094	0.2837	0.2837
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0268	0.8934	0.8934
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0094	0.2837	0.2837
Echinococcus multilocularis	protein kinase c iota type	0.0094	0.2837	0.2837
Loa Loa (eye worm)	AUR protein kinase	0.0299	1	1
Entamoeba histolytica	protein kinase, putative	0.0268	0.8934	0.8512
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0094	0.2837	0.2837
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0094	0.2837	0.2837
Echinococcus multilocularis	protein kinase c epsilon type	0.0094	0.2837	0.2837
Trypanosoma brucei	aurora B kinase	0.0299	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0299	1	1
Echinococcus granulosus	nervana 2	0.0175	0.5671	0.5671
Echinococcus multilocularis	serine threonine protein kinase	0.0094	0.2837	0.2837
Giardia lamblia	Aurora kinase	0.0299	1	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0179	0.5824	0.5824
Entamoeba histolytica	protein kinase, putative	0.0299	1	1
Schistosoma mansoni	protein kinase	0.0299	1	1
Onchocerca volvulus	Bile acid receptor homolog	0.0197	0.6461	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.2837	0.2837
Brugia malayi	Protein kinase domain containing protein	0.0094	0.2837	0.2837
Entamoeba histolytica	serine/threonine- protein kinase 6, putative	0.0299	1	1
Brugia malayi	Hr1 repeat family protein	0.0094	0.2837	0.2837
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Entamoeba histolytica	protein kinase, putative	0.0268	0.8934	0.8512
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Echinococcus granulosus	nervana 2	0.0175	0.5671	0.5671
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0094	0.2837	0.2837
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0179	0.5824	0.5824
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0094	0.2837	0.2837
Brugia malayi	Protein kinase domain containing protein	0.0268	0.8934	0.8934
Entamoeba histolytica	protein kinase, putative	0.0299	1	1
Echinococcus granulosus	NDR protein kinase	0.0094	0.2837	0.2837
Toxoplasma gondii	aurora kinase	0.0299	1	1
Leishmania major	protein kinase, putative	0.0299	1	0.5
Entamoeba histolytica	protein kinase, putative	0.0268	0.8934	0.8512
Trichomonas vaginalis	AGC family protein kinase	0.0299	1	1
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0179	0.5824	0.417
Loa Loa (eye worm)	AUR protein kinase	0.0299	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Brugia malayi	Protein kinase domain containing protein	0.0094	0.2837	0.2837
Echinococcus granulosus	serine/threonine protein kinase	0.0179	0.5824	0.5824
Brugia malayi	protein kinase C II.	0.0094	0.2837	0.2837
Echinococcus multilocularis	serine:threonine protein kinase 12 B	0.0299	1	1
Plasmodium vivax	serine/threonine protein kinase 6, putative	0.0299	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0094	0.2837	0.0209
Trichomonas vaginalis	AGC family protein kinase	0.0094	0.2837	0.0209
Echinococcus multilocularis	nervana 2	0.0175	0.5671	0.5671
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0094	0.2837	0.2837
Schistosoma mansoni	atypical protein kinase C	0.0094	0.2837	0.2837
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0094	0.2837	0.2837
Echinococcus multilocularis	aurora kinase A	0.0299	1	1
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0175	0.5671	0.5671
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0094	0.2837	0.2837
Entamoeba histolytica	protein kinase domain containing protein	0.0299	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.2837	0.2837
Echinococcus granulosus	protein kinase C gamma type	0.0094	0.2837	0.2837
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Plasmodium falciparum	serine/threonine protein kinase, putative	0.0299	1	1
Brugia malayi	serine/threonine kinase 12	0.0299	1	1
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0179	0.5824	0.5824
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0179	0.5824	0.417
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0094	0.2837	0.2837
Schistosoma mansoni	serine/threonine protein kinase	0.0299	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0094	0.2837	0.0209
Trichomonas vaginalis	AGC family protein kinase	0.0299	1	1
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0094	0.2837	0.2837
Entamoeba histolytica	serine/threonine- protein kinase 6 , putative	0.0299	1	1
Brugia malayi	ecdysteroid receptor	0.0197	0.6461	0.6461
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0175	0.5671	0.5671
Loa Loa (eye worm)	AUR protein kinase	0.0299	1	1
Echinococcus granulosus	protein kinase c iota type	0.0094	0.2837	0.2837
Brugia malayi	p70 ribosomal S6 kinase beta	0.0268	0.8934	0.8934
Echinococcus granulosus	Protein kinase C brain isozyme	0.0094	0.2837	0.2837
Trichomonas vaginalis	AGC family protein kinase	0.0268	0.8934	0.8543
Echinococcus granulosus	serine:threonine protein kinase N2	0.0094	0.2837	0.2837
Echinococcus granulosus	serine:threonine protein kinase 12 B	0.0299	1	1
Echinococcus granulosus	aurora kinase A	0.0299	1	1
Echinococcus granulosus	protein kinase c epsilon type	0.0094	0.2837	0.2837
Echinococcus granulosus	Glutaredoxin protein 5	0.0175	0.5671	0.5671

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 5.81	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
pEC50 (binding)		Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340

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: CHEMBL2286710

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1804468