Detailed information for compound 1284115

Basic information

Technical information
  • TDR Targets ID: 1284115
  • Name: ethyl 1-[3-[(4-methoxyphenyl)carbamoyl]phenyl ]-2-methyl-5-phenylpyrrole-3-carboxylate
  • MW: 454.517 | Formula: C28H26N2O4
  • H donors: 1 H acceptors: 2 LogP: 5.41 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc(n(c1C)c1cccc(c1)C(=O)Nc1ccc(cc1)OC)c1ccccc1
  • InChi: 1S/C28H26N2O4/c1-4-34-28(32)25-18-26(20-9-6-5-7-10-20)30(19(25)2)23-12-8-11-21(17-23)27(31)29-22-13-15-24(33-3)16-14-22/h5-18H,4H2,1-3H3,(H,29,31)
  • InChiKey: KHDQZTQXKHOPEG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[3-[(4-methoxyphenyl)carbamoyl]phenyl]-2-methyl-5-phenyl-pyrrole-3-carboxylate
  • 1-[3-[[(4-methoxyphenyl)amino]-oxomethyl]phenyl]-2-methyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester
  • 1-[3-[(4-methoxyphenyl)carbamoyl]phenyl]-2-methyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester
  • NCGC00140696-01
  • K906-1974

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
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.3107 0.3107
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.3107 0.3107
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Echinococcus granulosus tar DNA binding protein 0.0064 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.3107 0.3107
Brugia malayi TAR-binding protein 0.0064 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Loa Loa (eye worm) TAR-binding protein 0.0064 1 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.843 0.843
Loa Loa (eye worm) RNA binding protein 0.0064 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.843 0.843
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.843 0.843
Loa Loa (eye worm) hypothetical protein 0.006 0.843 0.843
Schistosoma mansoni tar DNA-binding protein 0.0064 1 1
Echinococcus multilocularis tar DNA binding protein 0.0064 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.3107 0.3107
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.3107 0.3107
Brugia malayi RNA recognition motif domain containing protein 0.0064 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.1623 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 25.1189 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 (binding) = 28.1838 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) 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
Potency (functional) 50.1187 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) = 125.8925 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (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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