Detailed information for compound 1485843

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.456 | Formula: C25H23NO2
  • H donors: 0 H acceptors: 1 LogP: 4.25 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C2C(C(N1Cc1ccccc1)c1ccoc1)C=CCC2c1ccccc1
  • InChi: 1S/C25H23NO2/c27-25-23-21(19-10-5-2-6-11-19)12-7-13-22(23)24(20-14-15-28-17-20)26(25)16-18-8-3-1-4-9-18/h1-11,13-15,17,21-24H,12,16H2
  • InChiKey: KSYOIXDDZBOZLY-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi RNA binding protein 0.0076 0.4666 0.4666
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4666 0.8686
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.5057 0.5057
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4666 0.4666
Echinococcus granulosus tar DNA binding protein 0.0076 0.4666 0.9226
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4666 0.9226
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.5057 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.4666 0.4666
Schistosoma mansoni hypothetical protein 0.0082 0.5371 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.5057 0.5057
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.5057 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4666 0.8686
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0978 0.1933
Brugia malayi latrophilin 2 splice variant baaae 0.0082 0.5371 0.5371
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4666 0.4666
Loa Loa (eye worm) pigment dispersing factor receptor c 0.012 1 1
Brugia malayi TAR-binding protein 0.0076 0.4666 0.4666
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4666 0.8686
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4666 0.8686
Loa Loa (eye worm) hypothetical protein 0.012 1 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.5057 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4666 0.8686
Brugia malayi Calcitonin receptor-like protein seb-1 0.012 1 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.5371 0.5371
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.5057 0.5
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0978 0.1933
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.5057 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.5057 0.9414
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4666 0.4666
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.5057 0.5
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.5057 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

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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