Detailed information for compound 1505194

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 329.864 | Formula: C20H24ClNO
  • H donors: 1 H acceptors: 1 LogP: 5.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(c1ccccc1Cl)C)Cc1ccc(cc1)C(C)(C)C
  • InChi: 1S/C20H24ClNO/c1-14(17-7-5-6-8-18(17)21)22-19(23)13-15-9-11-16(12-10-15)20(2,3)4/h5-12,14H,13H2,1-4H3,(H,22,23)
  • InChiKey: XQYODJPYRZMHCQ-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
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus multilocularis ectonucleotide 0.0405 0.0866 0.0444
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1356 0.4338 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Onchocerca volvulus 0.1038 0.3176 0.7321
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1356 0.4338 0.5
Loa Loa (eye worm) hypothetical protein 0.0481 0.1142 0.0735
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0481 0.1142 0.0733
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1038 0.3176 0.2863
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0938 0.2812 0.5
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0418 0.0913 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1356 0.4338 1
Brugia malayi Protein-tyrosine phosphatase 0.0298 0.0476 0.0037
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0481 0.1142 0.0733
Trypanosoma cruzi hypothetical protein, conserved 0.0418 0.0913 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0405 0.0866 0.0444
Leishmania major hypothetical protein, conserved 0.0418 0.0913 1
Loa Loa (eye worm) hypothetical protein 0.0481 0.1142 0.0735
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0481 0.1142 0.0733
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0481 0.1142 0.0733
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1356 0.4338 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Onchocerca volvulus 0.1356 0.4338 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Onchocerca volvulus 0.0481 0.1142 0.2632
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0481 0.1142 0.0733
Echinococcus granulosus ectonucleotide 0.0405 0.0866 0.0444
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1356 0.4338 0.5
Loa Loa (eye worm) hypothetical protein 0.0481 0.1142 0.0735
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0405 0.0866 0.0444
Loa Loa (eye worm) hypothetical protein 0.0405 0.0866 0.0447
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0481 0.1142 0.0733
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1356 0.4338 0.5
Onchocerca volvulus 0.0481 0.1142 0.2632
Trypanosoma cruzi hypothetical protein, conserved 0.0418 0.0913 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.1038 0.3176 0.2861
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1356 0.4338 1
Schistosoma mansoni hypothetical protein 0.1038 0.3176 0.2861
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0289 0.0441 0.5
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.1356 0.4338 0.4077
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1356 0.4338 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1356 0.4338 0.5
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1356 0.4338 0.4079
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1356 0.4338 1

Activities

Activity type Activity value Assay description Source Reference
IP (functional) = 332 nM Antagonist activity at Cav3.3 alpha1i expressed in HEK293 cells by depolarized FLIPR assay ChEMBL. 21316226

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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