TDR Targets

Basic information

Technical information

TDR Targets ID: 1811224
Name: N'-(benzoyl)-N-tert-butyl-2-methoxybenzohydra zide
MW: 326.39 | Formula: C19H22N2O3
H donors: 1 H acceptors: 2 LogP: 3.5 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1C(=O)N(C(C)(C)C)NC(=O)c1ccccc1
InChi: 1S/C19H22N2O3/c1-19(2,3)21(20-17(22)14-10-6-5-7-11-14)18(23)15-12-8-9-13-16(15)24-4/h5-13H,1-4H3,(H,20,22)
InChiKey: PUKQUTSJNLMGLT-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'-(benzoyl)-N-tert-butyl-2-methoxy-benzohydrazide
N-tert-butyl-2-methoxy-N'-(oxo-phenylmethyl)benzohydrazide
N-tert-butyl-2-methoxy-N'-phenylcarbonyl-benzohydrazide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Bombyx mori	Ecdysone receptor	Starlite/ChEMBL	References
Drosophila melanogaster	ultraspiracle	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
Echinococcus granulosus	retinoic acid receptor rxr beta a	Get druggable targets OG5_130073	All targets in OG5_130073
Schistosoma japonicum	ko:K08524 nuclear receptor, subfamily 2, group B, member 1, putative	Get druggable targets OG5_130073	All targets in OG5_130073
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	Get druggable targets OG5_130073	All targets in OG5_130073
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
Schistosoma mansoni	retinoic acid receptor RXR	Get druggable targets OG5_130073	All targets in OG5_130073

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
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0488	0.0488
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0386	0.0386
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0198	0.5
Brugia malayi	photoreceptor-specific nuclear receptor	0.0034	0.0488	0.0488
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0251	0.0251
Brugia malayi	MH2 domain containing protein	0.0117	0.2984	0.2984
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0919	0.0919
Schistosoma mansoni	hypothetical protein	0.0031	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.035	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0034	0.0488	0.0408
Echinococcus multilocularis	tumor protein p63	0.0332	0.9468	0.9468
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0251	0.0251
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.0488	0.0488
Echinococcus granulosus	lamin	0.0026	0.0251	0.0251
Echinococcus multilocularis	survival motor neuron protein 1	0.0232	0.6446	0.6446
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0198	0.5
Brugia malayi	intermediate filament protein	0.0026	0.0251	0.0251
Onchocerca volvulus	Protein ultraspiracle homolog	0.0034	0.0488	0.0408
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.035	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0098	0.2401	0.2401
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0198	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0034	0.0488	0.0488
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0034	0.0488	0.0488
Echinococcus granulosus	survival motor neuron protein 1	0.0232	0.6446	0.6446
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0034	0.0488	0.0488
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0198	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0386	0.0386
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0098	0.2401	0.2401
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.2984	0.2984
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0386	0.0386
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0386	0.0386
Brugia malayi	hypothetical protein	0.012	0.3076	0.3076
Schistosoma mansoni	thyroid hormone receptor	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Echinococcus multilocularis	lamin dm0	0.0026	0.0251	0.0251
Onchocerca volvulus	Huntingtin homolog	0.012	0.3076	0.485
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0034	0.0488	0.0488
Brugia malayi	hypothetical protein	0.0025	0.0198	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Schistosoma mansoni	coup transcription factor	0.0034	0.0488	0.0488
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0098	0.2401	0.2401
Schistosoma mansoni	RAR-like nuclear receptor	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0098	0.2401	0.2401
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0198	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0034	0.0488	0.0488
Echinococcus multilocularis	FTZ F1 alpha	0.0034	0.0488	0.0488
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0175	0.4731	0.4731
Schistosoma mansoni	hypothetical protein	0.0031	0.0386	0.0386
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.012	0.3076	0.3076
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0879	0.0879
Leishmania major	hypothetical protein, conserved	0.0025	0.0198	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0034	0.0488	0.0488
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0034	0.0488	0.0488
Echinococcus granulosus	intermediate filament protein	0.0026	0.0251	0.0251
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0034	0.0488	0.0488
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0034	0.0488	0.0488
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0034	0.0488	0.0488
Brugia malayi	nuclear receptor NHR-88	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0232	0.6446	0.6446
Onchocerca volvulus	Huntingtin homolog	0.012	0.3076	0.485
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0488	0.0488
Echinococcus multilocularis	ecdysone induced protein 78C	0.0034	0.0488	0.0488
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1469	0.1469
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0198	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0251	0.0251
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0034	0.0488	0.0488
Brugia malayi	Steroid receptor seven-up type 2	0.0034	0.0488	0.0488
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0193	0.5278	0.5278
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.0488	0.0488
Brugia malayi	hypothetical protein	0.0232	0.6446	0.6446
Brugia malayi	steroid hormone receptor	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0034	0.0488	0.0488
Echinococcus multilocularis	musashi	0.0026	0.0251	0.0251
Onchocerca volvulus		0.0047	0.0879	0.1079
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.0488	0.0488
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0386	0.0386
Echinococcus granulosus	ecdysone induced protein 78C	0.0034	0.0488	0.0488
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.035	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0251	0.0251
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.2984	0.2984
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.0488	0.0488
Onchocerca volvulus	Bile acid receptor homolog	0.0219	0.6076	1
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0879	0.0879
Echinococcus granulosus	lamin dm0	0.0026	0.0251	0.0251
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0488	0.0488
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0034	0.0488	0.0488
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0034	0.0488	0.0488
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0386	0.0386
Schistosoma mansoni	lamin	0.0026	0.0251	0.0251
Schistosoma mansoni	lamin	0.0026	0.0251	0.0251
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0386	0.0386
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0251	0.0251
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0034	0.0488	0.0488
Schistosoma mansoni	retinoic acid receptor RXR	0.0193	0.5278	0.5278
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0198	0.0198
Brugia malayi	nuclear hormone receptor	0.0034	0.0488	0.0488
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0488	0.0488
Echinococcus granulosus	GPCR family 2	0.0031	0.0386	0.0386
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0386	0.0386
Loa Loa (eye worm)	hypothetical protein	0.012	0.3076	0.3076
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0034	0.0488	0.0488
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0919	0.0919
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.035	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0034	0.0488	0.0488
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0198	0.5
Brugia malayi	ecdysteroid receptor	0.0219	0.6076	0.6076
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0034	0.0488	0.0488
Schistosoma mansoni	hypothetical protein	0.0047	0.0879	0.0879
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0488	0.0488
Echinococcus granulosus	tumor protein p63	0.0332	0.9468	0.9468
Schistosoma mansoni	hypothetical protein	0.0031	0.0386	0.0386
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.0488	0.0488
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.0488	0.0488
Schistosoma mansoni	hypothetical protein	0.0067	0.1469	0.1469
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.1469	0.1469
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0034	0.0488	0.0488
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0236	0.0236
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0034	0.0488	0.0488
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.0488	0.0488
Loa Loa (eye worm)	steroid hormone receptor	0.0034	0.0488	0.0488
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0034	0.0488	0.0488
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0034	0.0488	0.0488
Onchocerca volvulus		0.0049	0.0919	0.1147
Loa Loa (eye worm)	hypothetical protein	0.0219	0.6076	0.6076
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0488	0.0488
Onchocerca volvulus		0.0034	0.0488	0.0408
Echinococcus granulosus	FTZ F1 alpha	0.0034	0.0488	0.0488
Schistosoma mansoni	hypothetical protein	0.0031	0.0386	0.0386
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0034	0.0488	0.0488
Echinococcus multilocularis	lamin	0.0026	0.0251	0.0251

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	= 3.92	Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
EC50 (binding)	= 5.42	Agonist activity at ecdysone receptor in Drosophila melanogaster B2 cells assessed as reduction in cell density	ChEMBL.	20672340
EC50 (binding)	= 6.28	Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay	ChEMBL.	20672340
Efficacy (binding)	= 44 %	Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells at 100 uM after 24 hr by luciferase reporter gene assay relative to 20-hydroxyecdysone	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: CHEMBL2228437

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 1811224