Detailed information for compound 1152642

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.441 | Formula: C23H24FNO2
  • H donors: 0 H acceptors: 1 LogP: 4.06 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C1=COC2(CC1=O)CCN(CC2)CCc1ccccc1
  • InChi: 1S/C23H24FNO2/c24-20-8-6-19(7-9-20)21-17-27-23(16-22(21)26)11-14-25(15-12-23)13-10-18-4-2-1-3-5-18/h1-9,17H,10-16H2
  • InChiKey: IXHDDZQOYOQOCL-UHFFFAOYSA-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
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0145 0.4781 0.9342
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0155 0.5117 0.5
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.1686 0.2608
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0145 0.4781 0.5
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0049 0.1453 0.1434
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0155 0.5117 0.5106
Schistosoma mansoni cpg binding protein 0.0031 0.0841 0.0821
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0155 0.5117 1
Echinococcus granulosus SAM and MBT domain containing protein 0.0049 0.1453 0.2243
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0145 0.4781 0.9342
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0155 0.5117 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0192 0.6402 1
Echinococcus granulosus polycomb protein SCMH1 0.0049 0.1453 0.2243
Echinococcus multilocularis geminin 0.0173 0.5748 0.8976
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.1686 0.2608
Echinococcus granulosus geminin 0.0173 0.5748 0.8976
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0192 0.6402 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0155 0.5117 0.5
Echinococcus multilocularis SAM and MBT domain containing protein 0.0049 0.1453 0.2243
Echinococcus multilocularis polycomb protein SCMH1 0.0049 0.1453 0.2243
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.1686 0.2608
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0155 0.5117 0.5
Echinococcus multilocularis cpg binding protein 0.0031 0.0841 0.1284
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0145 0.4781 0.9342
Loa Loa (eye worm) MBCTL1 0.0055 0.1686 0.3183
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0155 0.5117 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0155 0.5117 0.7987
Echinococcus granulosus cpg binding protein 0.0031 0.0841 0.1284
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.1453 0.1434
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0049 0.1453 0.1675
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0145 0.4781 0.5
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0155 0.5117 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0155 0.5117 0.7987
Brugia malayi mbt repeat family protein 0.0049 0.1453 0.2726
Schistosoma mansoni sex comb on midleg homolog 0.0049 0.1453 0.1434
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.1919 0.1902
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0145 0.4781 0.9342
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0145 0.4781 0.9342
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.1686 0.2608
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0145 0.4781 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.5748 0.5739
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0784 0.139
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0155 0.5117 1
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0155 0.5117 1
Schistosoma mansoni cpg binding protein 0.0031 0.0841 0.0821
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0084 0.0097
Onchocerca volvulus 0.0145 0.4781 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0155 0.5117 0.5
Schistosoma mansoni hypothetical protein 0.0173 0.5748 0.5739
Loa Loa (eye worm) hypothetical protein 0.0055 0.1686 0.3183
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0145 0.4781 0.9342
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0155 0.5117 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0784 0.1397
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.1686 0.3189
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0155 0.5117 1
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0155 0.5117 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.1453 0.272
Onchocerca volvulus 0.0049 0.1453 0.1675
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0145 0.4781 0.9331
Brugia malayi mbt repeat family protein 0.0049 0.1453 0.2726
Schistosoma mansoni cpg binding protein 0.0029 0.0784 0.0763
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0084 0.0097
Loa Loa (eye worm) mbt repeat family protein 0.0049 0.1453 0.272
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.1686 0.1668
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0145 0.4781 0.9332
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0155 0.5117 0.5

Activities

No activities found for this compound.

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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