Detailed information for compound 1512353

Basic information

Technical information
  • TDR Targets ID: 1512353
  • Name: 1-[[1-[(3-chlorophenyl)methyl]indol-2-yl]meth yl]-N-(3-methoxypropyl)piperidine-4-carboxami de
  • MW: 454.004 | Formula: C26H32ClN3O2
  • H donors: 1 H acceptors: 1 LogP: 4.08 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)C1CCN(CC1)Cc1cc2c(n1Cc1cccc(c1)Cl)cccc2
  • InChi: 1S/C26H32ClN3O2/c1-32-15-5-12-28-26(31)21-10-13-29(14-11-21)19-24-17-22-7-2-3-9-25(22)30(24)18-20-6-4-8-23(27)16-20/h2-4,6-9,16-17,21H,5,10-15,18-19H2,1H3,(H,28,31)
  • InChiKey: QCGLDQADWMGTHL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[[1-[(3-chlorophenyl)methyl]-2-indolyl]methyl]-N-(3-methoxypropyl)-4-piperidinecarboxamide
  • 1-[[1-(3-chlorobenzyl)indol-2-yl]methyl]-N-(3-methoxypropyl)isonipecotamide
  • NCGC00137630-01
  • G907-0426

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Brugia malayi hypothetical protein 0.002 0.003 0.0036
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.0036 0.0834 0.0275
Loa Loa (eye worm) hypothetical protein 0.006 0.2074 0.2489
Brugia malayi MH2 domain containing protein 0.0144 0.6307 0.7568
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0834 0.0275
Loa Loa (eye worm) hypothetical protein 0.003 0.0574 0.0689
Trypanosoma cruzi hypothetical protein, conserved 0.0033 0.0706 0.014
Brugia malayi RE11181p 0.0033 0.0706 0.0847
Schistosoma mansoni hypothetical protein 0.0182 0.8206 0.8206
Giardia lamblia ABC transporter 0.0215 0.9872 0.5
Trypanosoma brucei ABC transporter, putative 0.0036 0.0834 0.0275
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0834 0.0275
Brugia malayi hypothetical protein 0.0033 0.0706 0.0847
Toxoplasma gondii ATP-binding cassette G family transporter ABCG89 0.0036 0.0834 0.0275
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1114 0.1337
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2074 0.2489
Trypanosoma cruzi ABC transporter, putative 0.0033 0.0706 0.014
Toxoplasma gondii ATP-binding cassette G family transporter ABCG107 0.0036 0.0834 0.0275
Leishmania major ATP-binding cassette protein subfamily G, member 1, putative 0.0036 0.0834 0.0275
Toxoplasma gondii ATP-binding cassette G family transporter ABCG96 0.0036 0.0834 0.0275
Loa Loa (eye worm) hypothetical protein 0.0033 0.0706 0.0847
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.0036 0.0834 0.0275
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6307 0.7568
Trypanosoma cruzi ABC transporter, putative 0.0033 0.0706 0.014
Leishmania major ATP-binding cassette protein subfamily G, member 2, putative 0.0036 0.0834 0.0275
Loa Loa (eye worm) ABC transporter 0.0184 0.8334 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1114 0.1337
Loa Loa (eye worm) hypothetical protein 0.0033 0.0706 0.0847
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2074 0.2489
Toxoplasma gondii ATP-binding cassette G family transporter ABCG87 0.0036 0.0834 0.0275
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2074 0.2489
Schistosoma mansoni ABC transporter 0.0184 0.8334 0.8334
Brugia malayi ABC transporter family protein 0.0184 0.8334 1
Trypanosoma brucei ATP-binding cassette protein subfamily G 0.0036 0.0834 0.0275
Trypanosoma cruzi ABC transporter, putative 0.0036 0.0834 0.0275
Leishmania major ATP-binding cassette protein subfamily G, member 5, putative 0.0036 0.0834 0.0275
Mycobacterium leprae Probable lipopolysaccharide transport integral membrane ABC transporter RfbD 0.0033 0.0706 0.5
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.0182 0.8206 1
Schistosoma mansoni ABC transporter 0.0033 0.0706 0.0706
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6307 0.7568
Brugia malayi hypothetical protein 0.003 0.0574 0.0689
Schistosoma mansoni hypothetical protein 0.0041 0.1114 0.1114
Loa Loa (eye worm) hypothetical protein 0.0033 0.0706 0.0847

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 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) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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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