Detailed information for compound 461334

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 358.433 | Formula: C23H22N2O2
  • H donors: 2 H acceptors: 1 LogP: 3.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1Nc2ccccc2CN[C@H]1Cc1ccc(cc1)OCc1ccccc1
  • InChi: 1S/C23H22N2O2/c26-23-22(24-15-19-8-4-5-9-21(19)25-23)14-17-10-12-20(13-11-17)27-16-18-6-2-1-3-7-18/h1-13,22,24H,14-16H2,(H,25,26)/t22-/m0/s1
  • InChiKey: ORHZQYHCCPJBHX-QFIPXVFZSA-N  


Substructure search Similarity search

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
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0063 0 0.5
Echinococcus multilocularis DNA polymerase alpha catalytic subunit 0.0341 0.2867 0.2867
Toxoplasma gondii DNA polymerase (pol2) superfamily protein 0.0341 0.2867 0.2147
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0189 0.1304 0.1304
Entamoeba histolytica DNA polymerase delta catalytic subunit, putative 0.1034 1 1
Plasmodium vivax DNA polymerase alpha, putative 0.0341 0.2867 0.2867
Loa Loa (eye worm) hypothetical protein 0.0152 0.0916 0.0916
Giardia lamblia DNA polymerase alpha subunit A 0.0152 0.0916 0.0916
Loa Loa (eye worm) hypothetical protein 0.0189 0.1304 0.1304
Loa Loa (eye worm) hypothetical protein 0.0189 0.1304 0.1304
Echinococcus granulosus dna polymerase epsilon catalytic subunit a 0.0341 0.2867 0.2867
Brugia malayi DNA polymerase family B, exonuclease domain containing protein 0.0341 0.2867 0.2867
Echinococcus multilocularis DNA polymerase delta catalytic subunit 0.1034 1 1
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0189 0.1304 0.1304
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0341 0.2867 0.2867
Loa Loa (eye worm) hypothetical protein 0.0341 0.2867 0.2867
Echinococcus multilocularis dna polymerase epsilon catalytic subunit a 0.0341 0.2867 0.2867
Plasmodium vivax DNA polymerase epsilon, catalytic subunit a, putative 0.0341 0.2867 0.2867
Echinococcus multilocularis DNA polymerase zeta catalytic subunit 0.0341 0.2867 0.2867
Plasmodium vivax DNA polymerase zeta catalytic subunit, putative 0.0341 0.2867 0.2867
Trypanosoma brucei DNA polymerase alpha catalytic subunit 0.0341 0.2867 0.2867
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.1034 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.0916 0.0916
Trypanosoma brucei DNA polymerase delta catalytic subunit, putative 0.1034 1 1
Entamoeba histolytica DNA polymerase alpha catalytic subunit, putative 0.0152 0.0916 0.0916
Leishmania major DNA polymerase zeta catalytic subunit, putative 0.0152 0.0916 0.0916
Toxoplasma gondii DNA polymerase family B protein 0.0341 0.2867 0.2147
Echinococcus granulosus DNA polymerase zeta catalytic subunit 0.0341 0.2867 0.2867
Trichomonas vaginalis DNA polymerase zeta catalytic subunit, putative 0.1034 1 1
Trichomonas vaginalis DNA polymerase II, putative 0.0341 0.2867 0.2867
Plasmodium falciparum DNA polymerase epsilon catalytic subunit A, putative 0.0189 0.1304 0.1304
Brugia malayi DNA polymerase alpha catalytic subunit 0.0341 0.2867 0.2867
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0341 0.2867 0.2867
Schistosoma mansoni DNA polymerase zeta catalytic subunit 0.0341 0.2867 0.2867
Trypanosoma cruzi DNA polymerase epsilon catalytic subunit, putative 0.0341 0.2867 0.2867
Trypanosoma brucei DNA polymerase epsilon catalytic subunit, putative 0.0341 0.2867 0.2867
Leishmania major DNA polymerase I alpha catalytic subunit, putative 0.0341 0.2867 0.2867
Plasmodium falciparum DNA polymerase delta catalytic subunit 0.1034 1 1
Echinococcus granulosus DNA polymerase alpha catalytic subunit 0.0341 0.2867 0.2867
Trypanosoma cruzi DNA polymerase zeta catalytic subunit, putative 0.0152 0.0916 0.0916
Giardia lamblia DNA polymerase epsilon, catalytic subunit 0.0341 0.2867 0.2867
Loa Loa (eye worm) DNA-directed DNA polymerase III 0.1034 1 1
Schistosoma mansoni DNA polymerase epsilon catalytic subunit 0.0341 0.2867 0.2867
Trypanosoma cruzi DNA polymerase delta catalytic subunit, putative 0.0845 0.805 0.805
Schistosoma mansoni DNA polymerase delta catalytic subunit 0.1034 1 1
Entamoeba histolytica DNA polymerase zeta catalytic subunit, putative 0.0152 0.0916 0.0916
Echinococcus granulosus DNA polymerase delta catalytic subunit 0.1034 1 1
Trypanosoma brucei DNA polymerase zeta catalytic subunit, putative 0.0341 0.2867 0.2867
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0063 0 0.5
Brugia malayi DNA polymerase family B containing protein 0.0341 0.2867 0.2867
Trichomonas vaginalis conserved hypothetical protein 0.0152 0.0916 0.0916
Trichomonas vaginalis DNA polymerase delta catalytic subunit, putative 0.0341 0.2867 0.2867
Loa Loa (eye worm) DNA polymerase epsilon catalytic subunit 0.0152 0.0916 0.0916
Leishmania major DNA polymerase epsilon catalytic subunit, putative 0.0341 0.2867 0.2867
Trypanosoma cruzi DNA polymerase I alpha catalytic subunit, putative 0.0341 0.2867 0.2867
Plasmodium falciparum DNA polymerase alpha catalytic subunit A 0.0152 0.0916 0.0916
Toxoplasma gondii DNA polymerase 0.1034 1 1
Plasmodium falciparum DNA polymerase zeta catalytic subunit, putative 0.0152 0.0916 0.0916
Trichomonas vaginalis DNA polymerase alpha catalytic subunit, putative 0.0341 0.2867 0.2867
Giardia lamblia DNA polymerase delta, catalytic subunit 0.1034 1 1
Plasmodium vivax DNA polymerase delta catalytic subunit, putative 0.1034 1 1
Onchocerca volvulus DNA polymerase delta catalytic subunit homolog 0.1034 1 1
Leishmania major DNA polymerase delta catalytic subunit, putative 0.1034 1 1
Schistosoma mansoni DNA polymerase alpha catalytic subunit 0.0341 0.2867 0.2867

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 4.83 % Antiischemic activity in forebrain neurons assessed as necrotic and delayed apoptotic neuronal population at 100 uM after 20 mins ChEMBL. 17178221
Activity (functional) = 4.99 % Antiischemic activity in forebrain neurons assessed as necrotic neuronal population at 100 uM after 20 mins ChEMBL. 17178221
Activity (functional) = 23.63 % Antiischemic activity in forebrain neurons assessed as apoptotic neuronal population at 100 uM after 20 mins ChEMBL. 17178221
Activity (functional) = 66.55 % Antiischemic activity in forebrain neurons assessed as viable cells at 100 uM after 20 mins ChEMBL. 17178221

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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