Detailed information for compound 432749

Basic information

Technical information
  • TDR Targets ID: 432749
  • Name: 1H-indol-3-yl-(3,4,5-trimethoxyphenyl)methano ne
  • MW: 311.332 | Formula: C18H17NO4
  • H donors: 1 H acceptors: 1 LogP: 3.3 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)c1c[nH]c2c1cccc2
  • InChi: 1S/C18H17NO4/c1-21-15-8-11(9-16(22-2)18(15)23-3)17(20)13-10-19-14-7-5-4-6-12(13)14/h4-10,19H,1-3H3
  • InChiKey: IWZBDBYOZDTTCS-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
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0041 0.0603 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0041 0.0603 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.004 0.0557 0.1942
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0041 0.0603 0.1913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0041 0.0603 0.1913
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0041 0.0603 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0041 0.0603 0.2106
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0041 0.0603 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.0041 0.0603 0.1913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Toxoplasma gondii FATC domain-containing protein 0.004 0.0557 0.9159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.004 0.0557 0.9159
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0041 0.0603 0.005
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.004 0.0557 0.9159
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0302 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0041 0.0603 1
Leishmania major hypothetical protein, conserved 0.0112 0.3154 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0041 0.0603 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0041 0.0603 0.005
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0041 0.0603 0.2106
Toxoplasma gondii target of rapamycin (TOR), putative 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0032 0.0268 0.0937
Trypanosoma cruzi hypothetical protein, conserved 0.0104 0.2866 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0268 0.3982
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0041 0.0603 0.2106
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0041 0.0603 0.2106
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0041 0.0603 0.2106
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0041 0.0603 0.1913
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0041 0.0603 0.1913
Loa Loa (eye worm) phosphatidylinositol 3 0.0041 0.0603 1
Giardia lamblia GTOR 0.0041 0.0603 0.5
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0041 0.0603 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0041 0.0603 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0041 0.0603 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 150 nM Growth inhibition of human MCF7 cells after 48 hrs by sulforhodamine B assay ChEMBL. 19601594
IC50 (functional) = 980 nM Growth inhibition of human MKN45 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 980 nM Growth inhibition of human MKN45 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1000 nM Growth inhibition of human HT29 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1000 nM Growth inhibition of human HT29 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1100 nM Growth inhibition of human TSGH cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1100 nM Growth inhibition of human TSGH cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1500 nM Growth inhibition of human KB-vin10 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1600 nM Growth inhibition of human KB cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1600 nM Growth inhibition of human KB cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1700 nM Growth inhibition of human H460 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504
IC50 (functional) = 1700 nM Growth inhibition of human H460 cells after 72 hrs by methylene blue dye assay ChEMBL. 17685504

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17685504

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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