Detailed information for compound 1422682

Basic information

Technical information
  • TDR Targets ID: 1422682
  • Name: N-(2-furan-2-ylethyl)-5-[[3-(trifluoromethyl) phenoxy]methyl]-1,2-oxazole-3-carboxamide
  • MW: 380.318 | Formula: C18H15F3N2O4
  • H donors: 1 H acceptors: 2 LogP: 3.42 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1noc(c1)COc1cccc(c1)C(F)(F)F)NCCc1ccco1
  • InChi: 1S/C18H15F3N2O4/c19-18(20,21)12-3-1-4-14(9-12)26-11-15-10-16(23-27-15)17(24)22-7-6-13-5-2-8-25-13/h1-5,8-10H,6-7,11H2,(H,22,24)
  • InChiKey: PFOFOOQOGPQFIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(2-furyl)ethyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]isoxazole-3-carboxamide
  • N-[2-(2-furyl)ethyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-3-isoxazolecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0026 0.0043 0.0063
Brugia malayi TAR-binding protein 0.0318 0.3295 0.3266
Schistosoma mansoni hypothetical protein 0.0291 0.2995 0.4432
Brugia malayi Isocitrate dehydrogenase 0.0214 0.2143 0.211
Loa Loa (eye worm) apoptosis regulator protein 0.0056 0.038 0.0338
Loa Loa (eye worm) hypothetical protein 0.0187 0.1839 0.1804
Schistosoma mansoni hypothetical protein 0.0056 0.038 0.0562
Brugia malayi hypothetical protein 0.0049 0.0305 0.0263
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0369 0.1119
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0056 0.038 0.0338
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0056 0.038 0.1152
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0214 0.2143 0.6506
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0026 0.0043 0.013
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0026 0.0043 0.013
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0214 0.2143 0.6506
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0291 0.2995 0.909
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0056 0.038 0.1152
Loa Loa (eye worm) TAR-binding protein 0.0318 0.3295 0.3266
Loa Loa (eye worm) hypothetical protein 0.0628 0.6758 0.6744
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0214 0.2143 0.6506
Mycobacterium ulcerans glutaminase 0.0268 0.2746 1
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0026 0.0043 0.013
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0214 0.2143 0.6506
Toxoplasma gondii isocitrate dehydrogenase 0.0214 0.2143 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0369 0.0327
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0026 0.0043 0.5
Brugia malayi glutaminase DH11.1 0.0268 0.2746 0.2715
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0919 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0305 0.0263
Toxoplasma gondii isocitrate dehydrogenase 0.0214 0.2143 1
Brugia malayi RNA binding protein 0.0318 0.3295 0.3266
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0214 0.2143 1
Loa Loa (eye worm) glutaminase 0.0268 0.2746 0.2715
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0291 0.2995 0.2965
Schistosoma mansoni glutaminase 0.0268 0.2746 0.4064
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0369 0.1119
Schistosoma mansoni hypothetical protein 0.0291 0.2995 0.4432
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0056 0.038 0.1152
Brugia malayi hypothetical protein 0.0032 0.0109 0.0066
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0026 0.0043 0.5
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0214 0.2143 1
Loa Loa (eye worm) hypothetical protein 0.0056 0.038 0.0338
Schistosoma mansoni unc-13 (munc13) 0.0026 0.0043 0.0063
Schistosoma mansoni tar DNA-binding protein 0.0318 0.3295 0.4875
Echinococcus granulosus tar DNA binding protein 0.0318 0.3295 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0026 0.0043 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0291 0.2995 0.2965
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0369 0.1119
Schistosoma mansoni hypothetical protein 0.0291 0.2995 0.4432
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0214 0.2143 1
Schistosoma mansoni hypothetical protein 0.0291 0.2995 0.4432
Echinococcus granulosus GPCR family 2 0.0291 0.2995 0.909
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0369 0.0545
Loa Loa (eye worm) RNA binding protein 0.0318 0.3295 0.3266
Loa Loa (eye worm) hypothetical protein 0.0291 0.2995 0.2965
Brugia malayi RNA recognition motif domain containing protein 0.0318 0.3295 0.3266
Schistosoma mansoni tar DNA-binding protein 0.0318 0.3295 0.4875
Brugia malayi Calcitonin receptor-like protein seb-1 0.0919 1 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0214 0.2143 1
Leishmania major hypothetical protein, conserved 0.0049 0.0305 0.1246
Brugia malayi latrophilin 2 splice variant baaae 0.0628 0.6758 0.6744
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0214 0.2143 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0056 0.038 0.1152
Schistosoma mansoni isocitrate dehydrogenase 0.0026 0.0043 0.0063
Brugia malayi isocitrate dehydrogenase 0.0214 0.2143 0.211
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0214 0.2143 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0291 0.2995 0.909
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0369 0.1119
Loa Loa (eye worm) isocitrate dehydrogenase 0.0214 0.2143 0.211
Schistosoma mansoni tar DNA-binding protein 0.0318 0.3295 0.4875
Schistosoma mansoni tar DNA-binding protein 0.0318 0.3295 0.4875
Loa Loa (eye worm) glutaminase 2 0.0268 0.2746 0.2715
Brugia malayi N-terminal motif family protein 0.0187 0.1839 0.1804
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0026 0.0043 0.013
Schistosoma mansoni hypothetical protein 0.0056 0.038 0.0562
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0214 0.2143 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0056 0.038 0.0562
Schistosoma mansoni apoptosis regulator bax 0.0056 0.038 0.0562
Schistosoma mansoni hypothetical protein 0.0056 0.038 0.0562
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0318 0.3295 0.3266
Loa Loa (eye worm) hypothetical protein 0.0919 1 1
Schistosoma mansoni hypothetical protein 0.0628 0.6758 1
Echinococcus multilocularis tar DNA binding protein 0.0318 0.3295 1
Trichomonas vaginalis glutaminase, putative 0.0268 0.2746 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0291 0.2995 0.909
Echinococcus multilocularis isocitrate dehydrogenase 0.0214 0.2143 0.6506
Schistosoma mansoni tar DNA-binding protein 0.0318 0.3295 0.4875
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0291 0.2995 0.909
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0369 0.0545
Echinococcus multilocularis GPCR, family 2 0.0291 0.2995 0.909
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0214 0.2143 0.6506
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0214 0.2143 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0369 0.0545
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.1839 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0369 0.0327
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0214 0.2143 0.3172
Brugia malayi Latrophilin receptor protein 2 0.0291 0.2995 0.2965

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 15.8489 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) 15.8489 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] 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) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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