Detailed information for compound 1495686

Basic information

Technical information
  • TDR Targets ID: 1495686
  • Name: N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-N-me thyl-5-[3-(trifluoromethyl)phenyl]furan-2-car boxamide
  • MW: 420.357 | Formula: C21H16F4N2O3
  • H donors: 1 H acceptors: 2 LogP: 4.33 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)c1ccc(o1)c1cccc(c1)C(F)(F)F)C)Nc1cccc(c1)F
  • InChi: 1S/C21H16F4N2O3/c1-27(12-19(28)26-16-7-3-6-15(22)11-16)20(29)18-9-8-17(30-18)13-4-2-5-14(10-13)21(23,24)25/h2-11H,12H2,1H3,(H,26,28)
  • InChiKey: JLWZJYZXNGYRSD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-[(3-fluorophenyl)amino]-2-oxo-ethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
  • N-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]-2-furancarboxamide
  • N-[2-[(3-fluorophenyl)amino]-2-keto-ethyl]-N-methyl-5-[3-(trifluoromethyl)phenyl]-2-furamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Brugia malayi cytochrome b 0.0208 0.1475 0.8
Brugia malayi Pre-SET motif family protein 0.0251 0.1841 1
Schistosoma mansoni cytochrome b 0.0341 0.2603 1
Toxoplasma gondii cytochrome b 0.0341 0.2603 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1841 1
Plasmodium falciparum cytochrome b 0.0341 0.2603 0.5
Onchocerca volvulus 0.1211 1 1
Onchocerca volvulus 0.0286 0.2136 0.2127
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.8028 1
Echinococcus granulosus cytochrome B 0.0341 0.2603 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0011 0.0043
Toxoplasma gondii apocytochrome b, putative 0.0341 0.2603 1
Toxoplasma gondii apocytochrome b, putative 0.0133 0.0833 0.317
Plasmodium vivax cytochrome b 0.0341 0.2603 1
Mycobacterium tuberculosis Probable ubiquinol-cytochrome C reductase QcrB (cytochrome B subunit) 0.1211 1 0.5
Trichomonas vaginalis set domain proteins, putative 0.0286 0.2136 0.5
Mycobacterium ulcerans ubiquinol-cytochrome C reductase QcrB 0.1211 1 0.5
Schistosoma mansoni cytochrome b 0.0208 0.1475 0.5648
Loa Loa (eye worm) cytochrome b 0.0208 0.1475 0.8
Wolbachia endosymbiont of Brugia malayi cytochrome b subunit of the bc complex 0.0341 0.2603 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1169 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) 0.2908 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 0.3294 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) 17.7828 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) 20.5962 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 of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 35.4813 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) 35.4813 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) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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