Detailed information for compound 1421474

Basic information

Technical information
  • TDR Targets ID: 1421474
  • Name: N-[(2-fluorophenyl)methyl]-2,3-dimethyl-1-(ph enylmethyl)indole-5-carboxamide
  • MW: 386.461 | Formula: C25H23FN2O
  • H donors: 1 H acceptors: 1 LogP: 5.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)c(C)c(n2Cc1ccccc1)C)NCc1ccccc1F
  • InChi: 1S/C25H23FN2O/c1-17-18(2)28(16-19-8-4-3-5-9-19)24-13-12-20(14-22(17)24)25(29)27-15-21-10-6-7-11-23(21)26/h3-14H,15-16H2,1-2H3,(H,27,29)
  • InChiKey: LLBGDKJNXRPOLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-fluorophenyl)methyl]-2,3-dimethyl-1-(phenylmethyl)-5-indolecarboxamide
  • 1-(benzyl)-N-(2-fluorobenzyl)-2,3-dimethyl-indole-5-carboxamide
  • G119-1103
  • NCGC00128900-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
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 Aminotransferase class III 0.0044 0 0.5
Plasmodium falciparum ornithine aminotransferase 0.0044 0 0.5
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0311 1 1
Mycobacterium tuberculosis Probable aminotransferase 0.0311 1 1
Echinococcus multilocularis ornithine aminotransferase 0.0044 0 0.5
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0044 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.5179 1
Plasmodium vivax ornithine aminotransferase, putative 0.0044 0 0.5
Echinococcus granulosus Aminotransferase class III 0.0044 0 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0044 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0598 0.1155
Onchocerca volvulus 0.0182 0.5179 0.5
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0044 0 0.5
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0311 1 1
Echinococcus granulosus ornithine aminotransferase 0.0044 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0311 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0598 0.1155
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0044 0 0.5
Brugia malayi hypothetical protein 0.0182 0.5179 1
Echinococcus multilocularis ornithine aminotransferase 0.0044 0 0.5
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0311 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No 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) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 28.1838 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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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