Detailed information for compound 332304

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 357.445 | Formula: C24H23NO2
  • H donors: 1 H acceptors: 2 LogP: 3.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]([C@@H]1N(C)C(=O)C[C@@H]1c1ccccc1)c1ccc(cc1)c1ccccc1
  • InChi: 1S/C24H23NO2/c1-25-22(26)16-21(19-10-6-3-7-11-19)23(25)24(27)20-14-12-18(13-15-20)17-8-4-2-5-9-17/h2-15,21,23-24,27H,16H2,1H3/t21-,23-,24+/m1/s1
  • InChiKey: ULBGLNPBFSHCAZ-JRFVFWCSSA-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
Homo sapiens hydroxysteroid (17-beta) dehydrogenase 2 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
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus multilocularis Dehydrogenase:reductase SDR family hydroxysteroid (17-beta) dehydrogenase 2 387 aa 359 aa 24.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.3467 0.6345
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.5464 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.3467 0.6345
Loa Loa (eye worm) intermediate filament protein 0.0027 0.3467 0.6345
Plasmodium vivax basic transcription factor 3b, putative 0.0034 0.5464 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.5464 0.5
Onchocerca volvulus 0.0027 0.3467 0.5
Brugia malayi intermediate filament protein 0.0027 0.3467 0.6345
Toxoplasma gondii NAC domain-containing protein 0.0034 0.5464 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.3331 0.6095
Schistosoma mansoni transcription factor btf3 0.0034 0.5464 0.3057
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.5464 0.5
Entamoeba histolytica hypothetical protein 0.0034 0.5464 0.5
Brugia malayi beta-NAC-like protein 0.0034 0.5464 1
Echinococcus granulosus transcription factor btf3 0.0034 0.5464 1
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.5464 0.5
Trypanosoma brucei transcription factor BTF3, putative 0.0034 0.5464 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0034 0.5464 0.5
Onchocerca volvulus 0.0027 0.3467 0.5
Loa Loa (eye worm) ICD-1 protein 0.0034 0.5464 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.3467 0.6345
Echinococcus multilocularis transcription factor btf3 0.0034 0.5464 1
Entamoeba histolytica transcription factor BTF3, putative 0.0034 0.5464 0.5
Plasmodium falciparum basic transcription factor 3b, putative 0.0034 0.5464 0.5
Leishmania major basic transcription factor 3a, putative 0.0034 0.5464 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.02 uM Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II) ChEMBL. 15890515
IC50 (binding) = 1.02 uM Inhibitory concentration against 17 beta hydroxysteroid dehydrogenase type 2 (type II 17-beta-HSD II) ChEMBL. 15890515

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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