Detailed information for compound 1414926

Basic information

Technical information
  • TDR Targets ID: 1414926
  • Name: N-[(5-methylfuran-2-yl)methyl]-4-(2-methylpro poxy)-N-pyridin-2-ylbenzamide
  • MW: 364.438 | Formula: C22H24N2O3
  • H donors: 0 H acceptors: 2 LogP: 4.5 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(COc1ccc(cc1)C(=O)N(c1ccccn1)Cc1ccc(o1)C)C
  • InChi: 1S/C22H24N2O3/c1-16(2)15-26-19-11-8-18(9-12-19)22(25)24(21-6-4-5-13-23-21)14-20-10-7-17(3)27-20/h4-13,16H,14-15H2,1-3H3
  • InChiKey: LBZOEJCQHNKZCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-isobutoxy-N-[(5-methyl-2-furyl)methyl]-N-(2-pyridyl)benzamide
  • N-[(5-methylfuran-2-yl)methyl]-4-(2-methylpropoxy)-N-pyridin-2-yl-benzamide
  • D341-1342
  • NCGC00119021-01

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
Loa Loa (eye worm) hypothetical protein 0.0041 0.0642 0.0642
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.3658 0.8247
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1314 0.1314
Schistosoma mansoni high voltage-activated calcium channel beta subunit 2 0.0149 0.4436 1
Schistosoma mansoni voltage-gated potassium channel 0.0127 0.3658 0.8247
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1314 0.1314
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0034 0.0376 0.0847
Loa Loa (eye worm) hypothetical protein 0.0034 0.0376 0.0376
Echinococcus multilocularis high voltage activated calcium channel beta 0.0149 0.4436 1
Echinococcus granulosus high voltage activated calcium channel beta 0.0149 0.4436 1
Echinococcus granulosus voltage gated potassium channel 0.0034 0.0376 0.0847
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0376 0.0847
Loa Loa (eye worm) hypothetical protein 0.006 0.1314 0.1314
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0642 0.0642
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1314 0.1314
Loa Loa (eye worm) voltage-dependent calcium channel beta 2a subunit 0.0306 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0116 0.3282 0.3282
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.3013 1
Schistosoma mansoni hypothetical protein 0.0041 0.0642 0.1447
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0116 0.3282 0.74
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0108 0.3013 1
Echinococcus multilocularis voltage gated potassium channel 0.0034 0.0376 0.0847
Schistosoma mansoni voltage-gated potassium channel 0.0034 0.0376 0.0847
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0034 0.0376 0.0376
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0116 0.3282 0.74
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0116 0.3282 0.3282
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0034 0.0376 0.0847
Loa Loa (eye worm) hypothetical protein 0.0101 0.2742 0.2742

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 50.1187 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) = 891.2509 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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