Detailed information for compound 103704

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.422 | Formula: C22H23NO4
  • H donors: 0 H acceptors: 2 LogP: 3.43 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCOc1ccc2c(c1)OC1C2C(=O)c2c(C1=O)cccc2)CC
  • InChi: 1S/C22H23NO4/c1-3-23(4-2)11-12-26-14-9-10-17-18(13-14)27-22-19(17)20(24)15-7-5-6-8-16(15)21(22)25/h5-10,13,19,22H,3-4,11-12H2,1-2H3
  • InChiKey: HRGYVYLNOUCSJW-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 telomerase reverse transcriptase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Telomerase reverse transcriptase homolog Get druggable targets OG5_131652 All targets in OG5_131652
Brugia malayi Telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Theileria parva hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Babesia bovis conserved hypothetical protein Get druggable targets OG5_131652 All targets in OG5_131652
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
Candida albicans telomerase reverse transcriptase Get druggable targets OG5_131652 All targets in OG5_131652
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
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0 0.5
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0021 0 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0 0.5
Giardia lamblia Telomerase catalytic subunit 0.0103 0.2155 0.5
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.0021 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0021 0 0.5
Toxoplasma gondii RNA-directed DNA polymerase 0.0103 0.2155 0.5
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0 0.5
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0376 0.9321 1
Plasmodium falciparum telomerase reverse transcriptase 0.0103 0.2155 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0402 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0 0.5
Plasmodium vivax telomerase reverse transcriptase, putative 0.0103 0.2155 0.5
Trypanosoma brucei squalene monooxygenase, putative 0.0402 1 1
Schistosoma mansoni thyroid hormone receptor 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0 0.5
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0 0.5
Trypanosoma cruzi squalene monooxygenase, putative 0.0402 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0 0.5
Schistosoma mansoni coup transcription factor 0.0021 0 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0 0.5
Brugia malayi Telomerase reverse transcriptase 0.0273 0.6628 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0 0.5
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 0 uM Compound was evaluated for cytotoxicity against human ovarian cancer cell A2780R; Not determined ChEMBL. 10999471
IC50 (functional) 0 uM Compound was evaluated for cytotoxicity against human ovarian cancer cell CHI R; Not determined ChEMBL. 10999471
IC50 (functional) = 0.15 uM Compound was evaluated for cytotoxicity against human ovarian cancer cell A2780 ChEMBL. 10999471
IC50 (functional) = 0.18 uM Compound was evaluated for cytotoxicity against human ovarian cancer cell CHI ChEMBL. 10999471
IC50 (functional) = 3.6 uM Compound was evaluated for cytotoxicity against human ovarian cancer cell SKOV-3 ChEMBL. 10999471
IC50 (binding) = 7 uM Inhibitory activity of the compound was tested against human ovarian cancer cell (A2780 cells) Telomerase ChEMBL. 10999471
IC50 (binding) = 7 uM Inhibitory activity of the compound was tested against human ovarian cancer cell (A2780 cells) Telomerase ChEMBL. 10999471

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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