Detailed information for compound 1294296

Basic information

Technical information
  • TDR Targets ID: 1294296
  • Name: N-[(4-chlorophenyl)methyl]-1-[[1-[(2-methylph enyl)methyl]indol-2-yl]methyl]piperidine-4-ca rboxamide
  • MW: 486.048 | Formula: C30H32ClN3O
  • H donors: 1 H acceptors: 1 LogP: 5.72 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CNC(=O)C1CCN(CC1)Cc1cc2c(n1Cc1ccccc1C)cccc2
  • InChi: 1S/C30H32ClN3O/c1-22-6-2-3-8-26(22)20-34-28(18-25-7-4-5-9-29(25)34)21-33-16-14-24(15-17-33)30(35)32-19-23-10-12-27(31)13-11-23/h2-13,18,24H,14-17,19-21H2,1H3,(H,32,35)
  • InChiKey: OLTZJEJFWNUYBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-chlorophenyl)methyl]-1-[[1-[(2-methylphenyl)methyl]-2-indolyl]methyl]-4-piperidinecarboxamide
  • N-(4-chlorobenzyl)-1-[[1-(2-methylbenzyl)indol-2-yl]methyl]isonipecotamide
  • G907-0615
  • NCGC00137636-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.134 0.134
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0049 0.134 0.5
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.134 0.5
Echinococcus granulosus GPCR family 2 0.0046 0.1249 0.1249
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.134 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.134 0.134
Schistosoma mansoni hypothetical protein 0.0046 0.1249 0.1249
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0046 0.1249 0.1249
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0049 0.134 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.01 0.3218 0.3218
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0046 0.1249 0.1249
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0049 0.134 0.134
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.4916 0.4916
Brugia malayi hypothetical protein 0.0086 0.2714 0.2714
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.4916 0.4916
Loa Loa (eye worm) isocitrate dehydrogenase 0.0049 0.134 0.134
Loa Loa (eye worm) hypothetical protein 0.0086 0.2714 0.2714
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0049 0.134 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.134 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.4916 0.4916
Echinococcus multilocularis isocitrate dehydrogenase 0.0049 0.134 0.134
Brugia malayi Isocitrate dehydrogenase 0.0049 0.134 0.134
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0046 0.1249 0.1249
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3836 0.3836
Schistosoma mansoni hypothetical protein 0.0046 0.1249 0.1249
Schistosoma mansoni hypothetical protein 0.01 0.3218 0.3218
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0049 0.134 0.134
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0046 0.1249 0.1249
Loa Loa (eye worm) latrophilin receptor protein 2 0.0046 0.1249 0.1249
Schistosoma mansoni hypothetical protein 0.0046 0.1249 0.1249
Brugia malayi Latrophilin receptor protein 2 0.0046 0.1249 0.1249
Loa Loa (eye worm) hypothetical protein 0.0046 0.1249 0.1249
Loa Loa (eye worm) hypothetical protein 0.0086 0.2714 0.2714
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0049 0.134 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0046 0.1249 0.1249
Brugia malayi MH2 domain containing protein 0.0117 0.3836 0.3836
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0049 0.134 0.5
Schistosoma mansoni hypothetical protein 0.0046 0.1249 0.1249
Toxoplasma gondii isocitrate dehydrogenase 0.0049 0.134 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3836 0.3836
Loa Loa (eye worm) hypothetical protein 0.0147 0.4916 0.4916
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0049 0.134 0.134
Echinococcus multilocularis GPCR, family 2 0.0046 0.1249 0.1249
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0049 0.134 0.5
Schistosoma mansoni eyes absent homolog 0.0086 0.2714 0.2714
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0049 0.134 0.134
Loa Loa (eye worm) hypothetical protein 0.01 0.3218 0.3218
Brugia malayi isocitrate dehydrogenase 0.0049 0.134 0.134

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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