Detailed information for compound 369047

Basic information

Technical information
  • TDR Targets ID: 369047
  • Name: N-[2-(1H-indol-3-yl)ethyl]-N,4-dimethylbenzam ide
  • MW: 292.375 | Formula: C19H20N2O
  • H donors: 1 H acceptors: 1 LogP: 3.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)C(=O)N(CCc1c[nH]c2c1cccc2)C
  • InChi: 1S/C19H20N2O/c1-14-7-9-15(10-8-14)19(22)21(2)12-11-16-13-20-18-6-4-3-5-17(16)18/h3-10,13,20H,11-12H2,1-2H3
  • InChiKey: YLANNPQIVOTMIW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(1H-indol-3-yl)ethyl]-N,4-dimethyl-benzamide

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 methionine aminopeptidase, putative 0.011 1 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0103 0.8012 0.5
Giardia lamblia Methionine aminopeptidase 0.0103 0.8012 0.5
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.011 1 1
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0074 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0103 0.8012 0.5
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.011 1 1
Loa Loa (eye worm) methionine aminopeptidase type I 0.011 1 1
Plasmodium vivax methionine aminopeptidase 2, putative 0.0103 0.8012 0.8012
Treponema pallidum methionine aminopeptidase (map) 0.0074 0 0.5
Plasmodium vivax methionine aminopeptidase 1b, putative 0.011 1 1
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.011 1 1
Plasmodium falciparum methionine aminopeptidase 2 0.0103 0.8012 0.8012
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.011 1 1
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.011 1 1
Entamoeba histolytica methionine aminopeptidase, putative 0.0103 0.8012 0.5
Chlamydia trachomatis methionine aminopeptidase 0.0074 0 0.5
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0074 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0103 0.8012 0.5
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.011 1 1
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0074 0 0.5
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0074 0 0.5
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0103 0.8012 1
Toxoplasma gondii methionine aminopeptidase 0.011 1 1
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0103 0.8012 0.5
Toxoplasma gondii methionine aminopeptidase 2, putative 0.0103 0.8012 0.8012
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.011 1 1
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0074 0 0.5
Mycobacterium ulcerans methionine aminopeptidase 0.0074 0 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0103 0.8012 0.5
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.011 1 1
Echinococcus multilocularis methionyl aminopeptidase 2 0.0103 0.8012 0.8012
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0074 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) 0 Ability to displace ethidium bromide from DNA ChEMBL. 16750360
IC50 (functional) = 55 uM Antiproliferative activity against PC3 cells ChEMBL. 16750360
IC50 (functional) = 55 uM Antiproliferative activity against PC3 cells ChEMBL. 16750360
IC50 (binding) = 63 uM Inhibition of Cdk4/Cyclin D1 ChEMBL. 16750360
IC50 (binding) = 63 uM Inhibition of Cdk4/Cyclin D1 ChEMBL. 16750360
IC50 (functional) = 82 uM Antiproliferative activity against LS174T cells ChEMBL. 16750360
IC50 (functional) = 82 uM Antiproliferative activity against LS174T cells ChEMBL. 16750360
IC50 (functional) = 92 uM Antiproliferative activity against A549 cells ChEMBL. 16750360
IC50 (functional) = 92 uM Antiproliferative activity against A549 cells ChEMBL. 16750360
IC50 (functional) = 103 uM Antiproliferative activity against Calu1 cells ChEMBL. 16750360
IC50 (functional) = 103 uM Antiproliferative activity against Calu1 cells ChEMBL. 16750360
IC50 (binding) = 790 uM Inhibition of Cdk2/Cyclin A ChEMBL. 16750360
IC50 (binding) = 790 uM Inhibition of Cdk2/Cyclin A ChEMBL. 16750360

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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