Detailed information for compound 1584604

Basic information

Technical information
  • TDR Targets ID: 1584604
  • Name: 1-indol-1-ylindole
  • MW: 232.28 | Formula: C16H12N2
  • H donors: 0 H acceptors: 0 LogP: 4.17 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc2c(c1)n(cc2)n1ccc2c1cccc2
  • InChi: 1S/C16H12N2/c1-3-7-15-13(5-1)9-11-17(15)18-12-10-14-6-2-4-8-16(14)18/h1-12H
  • InChiKey: QZKLZARWTJMZLQ-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-(1-indolyl)indole

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis Smad4 0.001 0 0.5
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0 0.5
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0 0.5
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0 0.5
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.2285 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0297 0.1261 0.5
Echinococcus granulosus smad 0.001 0 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2285 1 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.2285 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0297 0.1261 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.2285 1 0.5
Schistosoma mansoni smad 0.001 0 0.5
Schistosoma mansoni smad1 5 8 and 0.001 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0591 1
Schistosoma mansoni smad1 5 8 and 0.001 0 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0297 0.1261 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0297 0.1261 0.5
Schistosoma mansoni Smad4 0.001 0 0.5
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.2285 1 0.5
Echinococcus granulosus Smad4 0.001 0 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.2285 1 0.5
Brugia malayi MH2 domain containing protein 0.0144 0.0591 1
Echinococcus multilocularis smad 0.001 0 0.5
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.2285 1 0.5
Entamoeba histolytica fatty acid elongase, putative 0.0297 0.1261 0.5
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0591 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference

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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