Detailed information for compound 1803512

Basic information

Technical information
  • TDR Targets ID: 1803512
  • Name: N'-(benzoyl)-N'-tert-butyl-4-ethylbenzohydraz ide
  • MW: 324.417 | Formula: C20H24N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)C(=O)NN(C(C)(C)C)C(=O)c1ccccc1
  • InChi: 1S/C20H24N2O2/c1-5-15-11-13-16(14-12-15)18(23)21-22(20(2,3)4)19(24)17-9-7-6-8-10-17/h6-14H,5H2,1-4H3,(H,21,23)
  • InChiKey: ZJOWBUQITMZDKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-(benzoyl)-N'-tert-butyl-4-ethyl-benzohydrazide
  • N'-tert-butyl-4-ethyl-N'-(oxo-phenylmethyl)benzohydrazide
  • N'-tert-butyl-4-ethyl-N'-phenylcarbonyl-benzohydrazide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Spodoptera littoralis Ecdysone receptor Starlite/ChEMBL References
Drosophila melanogaster ultraspiracle Starlite/ChEMBL References
Bombyx mori Ecdysone receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus retinoic acid receptor rxr beta a Get druggable targets OG5_130073 All targets in OG5_130073
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
Schistosoma mansoni retinoic acid receptor RXR Get druggable targets OG5_130073 All targets in OG5_130073
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis ecdysone induced protein 78C Ecdysone receptor   585 aa 476 aa 25.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) guanylyl cyclase/natriuretic peptide receptor 0.0346 0.796 0.796
Schistosoma mansoni soluble guanylate cyclase gcy 0.0305 0.6808 0.8293
Echinococcus granulosus geminin 0.0205 0.4023 0.5552
Schistosoma mansoni retinoic acid receptor RXR 0.0208 0.4105 0.4289
Onchocerca volvulus Bile acid receptor homolog 0.0419 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0208 0.4105 0.5712
Brugia malayi hypothetical protein 0.0286 0.6278 0.6278
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6278 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0182 0.3386 0.4295
Schistosoma mansoni soluble guanylate cyclase gcy 0.0305 0.6808 0.8293
Schistosoma mansoni hypothetical protein 0.0288 0.6358 0.7627
Brugia malayi Adenylate and Guanylate cyclase catalytic domain containing protein 0.0346 0.796 0.796
Loa Loa (eye worm) hypothetical protein 0.0346 0.796 0.796
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6278 1
Loa Loa (eye worm) hypothetical protein 0.0419 1 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.121 0.121
Schistosoma mansoni hypothetical protein 0.0205 0.4023 0.4168
Schistosoma mansoni soluble guanylyl cyclase beta-3 0.0288 0.6358 0.7627
Schistosoma mansoni hypothetical protein 0.0205 0.4023 0.4168
Schistosoma mansoni soluble guanylate cyclase gcy 0.0305 0.6808 0.8293
Echinococcus multilocularis geminin 0.0205 0.4023 0.5552
Brugia malayi Adenylate and Guanylate cyclase catalytic domain containing protein 0.0104 0.121 0.121
Schistosoma mansoni soluble guanylate cyclase gcy 0.0346 0.796 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.6278 0.6278

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 5.26 Agonist activity at ecdysone receptor in Drosophila melanogaster S2 cells after 24 hr by luciferase reporter gene assay ChEMBL. 20672340
EC50 (binding) = 6.96 Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay ChEMBL. 20069627
EC50 (binding) = 7.76 Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay ChEMBL. 20069627
EC50 (binding) = 8.31 Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay ChEMBL. 20672340
Efficacy (binding) = 52 % 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
Efficacy (binding) = 84 % Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide ChEMBL. 20069627
Efficacy (binding) = 110 % Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay relative to tebufenozide ChEMBL. 20069627

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

Bibliographic References

1 literature reference was collected for this gene.

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