Detailed information for compound 1314661

Basic information

Technical information
  • TDR Targets ID: 1314661
  • Name: N-[4-(2-diethylaminoethylcarbamoyl)phenyl]-2- [4-(trifluoromethyl)phenyl]benzamide
  • MW: 483.525 | Formula: C27H28F3N3O2
  • H donors: 2 H acceptors: 2 LogP: 5.32 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCNC(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccc(cc1)C(F)(F)F)CC
  • InChi: 1S/C27H28F3N3O2/c1-3-33(4-2)18-17-31-25(34)20-11-15-22(16-12-20)32-26(35)24-8-6-5-7-23(24)19-9-13-21(14-10-19)27(28,29)30/h5-16H,3-4,17-18H2,1-2H3,(H,31,34)(H,32,35)
  • InChiKey: VJUCHMDKYBGFJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(2-diethylaminoethylamino)-oxomethyl]phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
  • T5237831

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens glycoprotein hormones, alpha polypeptide 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
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
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
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0147 0.3981 0.1071
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi Cytochrome P450 family protein 0.0069 0.0422 0.0422
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi hypothetical protein 0.0147 0.3981 0.3981
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi Nuclear hormone receptor-like 1 0.0147 0.3981 0.3981
Brugia malayi ecdysone receptor 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi orphan nuclear receptor NR2E1 0.0131 0.3259 0.3259
Brugia malayi Nuclear hormone receptor-like 1 0.0147 0.3981 0.3981
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi nuclear hormone receptor 0.0131 0.3259 0.3259
Brugia malayi nuclear receptor NHR-67 0.0131 0.3259 0.3259
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0131 0.3259 0.3259
Loa Loa (eye worm) nuclear receptor NHR-67 0.0131 0.3259 0.3259
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0147 0.3981 0.1071
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi nuclear hormone receptor family member nhr-6 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0147 0.3981 0.3981
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0147 0.3981 0.1071
Loa Loa (eye worm) nuclear hormone receptor 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0147 0.3981 0.3981
Loa Loa (eye worm) hypothetical protein 0.0147 0.3981 0.3981
Brugia malayi nuclear receptor RXR 0.0147 0.3981 0.3981
Brugia malayi nuclear hormone receptor family member odr-7 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0147 0.3981 0.3981
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Brugia malayi nuclear receptor RXR 0.0131 0.3259 0.3259
Brugia malayi nuclear receptor NHR-88 0.0131 0.3259 0.3259
Brugia malayi Nuclear hormone receptor E75 0.0131 0.3259 0.3259
Brugia malayi hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0147 0.3981 0.3981
Brugia malayi conserved hypotetical protein 0.0131 0.3259 0.3259
Brugia malayi hypothetical protein 0.0147 0.3981 0.3981
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0147 0.3981 0.1071
Brugia malayi Nuclear hormone receptor E75 0.0131 0.3259 0.3259
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0131 0.3259 0.3259
Brugia malayi tailless protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) cytochrome P450 family protein 0.0069 0.0422 0.0422
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0147 0.3981 0.3981
Brugia malayi hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) hypothetical protein 0.0131 0.3259 0.3259
Loa Loa (eye worm) DR-78 0.0131 0.3259 0.3259

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 13.1154 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 25.1189 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) 25.1189 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) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

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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