Detailed information for compound 1808068

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 428.952 | Formula: C24H29ClN2O3
  • H donors: 1 H acceptors: 2 LogP: 5.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(c1)C(=O)N(C(C)(C)C)NC(=O)c1ccc2c(c1C)CCCO2)Cl
  • InChi: 1S/C24H29ClN2O3/c1-14-12-15(2)21(25)19(13-14)23(29)27(24(4,5)6)26-22(28)18-9-10-20-17(16(18)3)8-7-11-30-20/h9-10,12-13H,7-8,11H2,1-6H3,(H,26,28)
  • InChiKey: SPIZWORIBFYOLU-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Spodoptera littoralis Ecdysone receptor 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_134445 All targets in OG5_134445
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

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
Echinococcus multilocularis enteropeptidase 0.0268 0.6588 1
Onchocerca volvulus 0.0268 0.6588 0.6588
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Onchocerca volvulus 0.0268 0.6588 0.6588
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Onchocerca volvulus 0.0268 0.6588 0.6588
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0268 0.6588 1
Brugia malayi Trypsin family protein 0.0268 0.6588 0.6588
Brugia malayi hypothetical protein 0.0268 0.6588 0.6588
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Onchocerca volvulus 0.0268 0.6588 0.6588
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Echinococcus multilocularis Mastin 0.0268 0.6588 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0268 0.6588 1
Onchocerca volvulus 0.0268 0.6588 0.6588
Echinococcus granulosus glycoprotein Antigen 5 0.0268 0.6588 1
Loa Loa (eye worm) hypothetical protein 0.0395 1 1
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Brugia malayi Trypsin family protein 0.0268 0.6588 0.6588
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Mycobacterium ulcerans hypothetical protein 0.0268 0.6588 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0268 0.6588 0.6588
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Schistosoma mansoni hypothetical protein 0.0268 0.6588 1
Schistosoma mansoni hypothetical protein 0.0268 0.6588 1
Echinococcus granulosus transmembrane protease serine 3 0.0268 0.6588 1
Echinococcus granulosus Mastin 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Echinococcus multilocularis transmembrane protease serine 3 0.0268 0.6588 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Brugia malayi Trypsin family protein 0.0268 0.6588 0.6588
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Onchocerca volvulus Bile acid receptor homolog 0.0395 1 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Loa Loa (eye worm) hypothetical protein 0.0268 0.6588 0.6588
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Brugia malayi Trypsin-like protease protein 5 0.0268 0.6588 0.6588
Echinococcus multilocularis glycoprotein Antigen 5 0.0268 0.6588 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0268 0.6588 1
Loa Loa (eye worm) trypsin family protein 0.0268 0.6588 0.6588
Onchocerca volvulus 0.0268 0.6588 0.6588
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1
Brugia malayi Trypsin family protein 0.0268 0.6588 0.6588
Echinococcus granulosus enteropeptidase 0.0268 0.6588 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0268 0.6588 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 7.17 Agonist activity at ecdysone receptor in Spodoptera littoralis Sl2 cells after 24 hr by luciferase reporter gene assay ChEMBL. 20069627
EC50 (binding) = 7.48 Agonist activity at ecdysone receptor in Bombyx mori Bm5 cells after 24 hr by luciferase reporter gene assay ChEMBL. 20069627
Efficacy (binding) = 95 % 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) = 114 % 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

No literature references available for this target.

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