Detailed information for compound 1443637

Basic information

Technical information
  • TDR Targets ID: 1443637
  • Name: N-[1-oxo-3-phenyl-1-(pyridin-2-ylmethylamino) propan-2-yl]furan-2-carboxamide
  • MW: 349.383 | Formula: C20H19N3O3
  • H donors: 2 H acceptors: 3 LogP: 2.39 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(NC(=O)c1ccco1)Cc1ccccc1)NCc1ccccn1
  • InChi: 1S/C20H19N3O3/c24-19(22-14-16-9-4-5-11-21-16)17(13-15-7-2-1-3-8-15)23-20(25)18-10-6-12-26-18/h1-12,17H,13-14H2,(H,22,24)(H,23,25)
  • InChiKey: IWVIJZQCWFDLKJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-oxo-1-(phenylmethyl)-2-(2-pyridylmethylamino)ethyl]furan-2-carboxamide
  • N-[2-oxo-1-(phenylmethyl)-2-(2-pyridylmethylamino)ethyl]-2-furancarboxamide
  • N-[1-(benzyl)-2-keto-2-(2-pyridylmethylamino)ethyl]-2-furamide
  • MLS000097204
  • N-2-furoyl-N-(2-pyridinylmethyl)phenylalaninamide
  • SMR000076801
  • STK142153

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis beta-hexosaminidase B, putative 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Brugia malayi Protein kinase domain containing protein 0.4698 0.3691 0.5
Mycobacterium leprae PROBABLE CONSERVED TRANSMEMBRANE PROTEIN 0.0581 0 0.5
Schistosoma mansoni btb and poz domain-containing protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis hypothetical protein 0.0581 0 0.5
Schistosoma mansoni hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Echinococcus multilocularis discoidin domain receptor 0.0581 0 0.5
Echinococcus granulosus discoidin domain receptor 0.4639 0.3638 0.3638
Loa Loa (eye worm) hypothetical protein 0.4639 0.3638 1
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0581 0 0.5
Echinococcus multilocularis discoidin domain containing receptor 2 0.0581 0 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0581 0 0.5
Echinococcus multilocularis discoidin domain containing receptor 2 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Plasmodium falciparum LCCL domain-containing protein 0.0581 0 0.5
Onchocerca volvulus 0.4698 0.3691 1
Toxoplasma gondii PA14 domain-containing protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Schistosoma mansoni dock 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Echinococcus multilocularis discoidin domain containing receptor 2 0.0581 0 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Trichomonas vaginalis alpha-L-fucosidase, putative 0.0581 0 0.5
Mycobacterium tuberculosis Possible arabinofuranosyltransferase AftD 0.0581 0 0.5
Toxoplasma gondii F5/8 type C domain-containing protein 0.0581 0 0.5
Loa Loa (eye worm) hypothetical protein 0.4117 0.317 0.8714
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Loa Loa (eye worm) TK/DDR protein kinase 0.4117 0.317 0.8714
Schistosoma mansoni discoidin domain receptor 0.0581 0 0.5
Plasmodium vivax LCCL domain-containing protein 0.0581 0 0.5
Plasmodium vivax LCCL domain-containing protein 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Echinococcus multilocularis Coagulation factor 5 8 type, C terminal 0.0581 0 0.5
Echinococcus multilocularis nuclear receptor 2C2 associated protein 0.0581 0 0.5
Schistosoma mansoni discoidin domain receptor 0.0581 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0581 0 0.5
Schistosoma mansoni septate junction protein 0.0581 0 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 150 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors of Resistant C. albicans Growth in the Presence of Fluconazole. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1979, AID2007] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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