Detailed information for compound 1925129

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 406.54 | Formula: C24H26N2O2S
  • H donors: 1 H acceptors: 3 LogP: 5.51 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1ccc(cc1)C12CC3CC(C1)CC(C2)(C3)c1ccc(cc1)NS(=O)(=O)C
  • InChi: 1S/C24H26N2O2S/c1-29(27,28)26-22-8-6-21(7-9-22)24-13-18-10-19(14-24)12-23(11-18,16-24)20-4-2-17(15-25)3-5-20/h2-9,18-19,26H,10-14,16H2,1H3
  • InChiKey: DNFJXOOCSWHZAZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens progesterone receptor Starlite/ChEMBL References

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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.0051 1 0.5
Chlamydia trachomatis DNA ligase 0.0035 0.6083 0.5
Mycobacterium ulcerans excinuclease ABC subunit C 0.0035 0.6083 0.5
Trypanosoma cruzi DNA repair protein RAD51, putative 0.0051 1 0.5
Leishmania major RAD51/dmc1 protein 0.0051 1 1
Chlamydia trachomatis excinuclease ABC subunit C 0.0035 0.6083 0.5
Plasmodium vivax DNA repair protein RAD51, putative 0.0016 0.1735 0.5
Wolbachia endosymbiont of Brugia malayi transcription elongation factor NusA 0.0035 0.6083 0.5
Loa Loa (eye worm) rad51 0.0051 1 1
Chlamydia trachomatis exodeoxyribonuclease V subunit alpha 0.0035 0.6083 0.5
Plasmodium vivax meiotic recombination protein DMC1, putative 0.0016 0.1735 0.5
Brugia malayi Meiotic recombination protein DMC1/LIM15 homolog, putative 0.0016 0.1735 0.1735
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0035 0.6083 0.6083
Treponema pallidum Holliday junction DNA helicase (ruvA) 0.0035 0.6083 0.5
Echinococcus multilocularis dna repair protein rad51 1 0.0051 1 1
Trypanosoma cruzi DNA repair protein RAD51, putative 0.0051 1 0.5
Plasmodium falciparum DNA repair protein RAD51 0.0016 0.1735 0.5
Loa Loa (eye worm) meiotic recombination protein DMC1/LIM15 0.0016 0.1735 0.1735
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0035 0.6083 0.5261
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.0051 1 0.5
Plasmodium falciparum meiotic recombination protein DMC1, putative 0.0016 0.1735 0.5
Mycobacterium tuberculosis Probable holliday junction DNA helicase RuvA 0.0035 0.6083 0.5
Giardia lamblia DNA helicase 0.0035 0.6083 1
Onchocerca volvulus Meiotic recombination protein DMC1\/LIM15 homolog 0.0016 0.1735 1
Schistosoma mansoni DNA repair protein RAD51 0.0051 1 1
Toxoplasma gondii meiotic recombination protein DMC1 family protein 0.0051 1 1
Mycobacterium leprae Probable Holliday junction DNA helicase component RuvA 0.0035 0.6083 0.5
Mycobacterium ulcerans Holliday junction DNA helicase RuvA 0.0035 0.6083 0.5
Entamoeba histolytica DNA repair protein RAD51, putative 0.0051 1 1
Trypanosoma brucei DNA repair protein RAD51 0.0016 0.1735 0.5
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0035 0.6083 0.6083
Trichomonas vaginalis meiosis-specific recA homolog Dmc1 0.0051 1 1
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0035 0.6083 0.6083
Giardia lamblia hypothetical protein 0.0035 0.6083 1
Trypanosoma brucei meiotic recombination protein DMC1, putative 0.0016 0.1735 0.5
Wolbachia endosymbiont of Brugia malayi Holliday junction DNA helicase RuvA 0.0035 0.6083 0.5
Chlamydia trachomatis Holliday junction ATP-dependent DNA helicase RuvA 0.0035 0.6083 0.5
Echinococcus granulosus dna repair protein rad51 1 0.0051 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 118.9 nM Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-inducted alkaline phosphatase expression after 24 hrs by plate reader analysis ChEMBL. 25593098

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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