Detailed information for compound 1527804

Basic information

Technical information
  • TDR Targets ID: 1527804
  • Name: (3E)-5-naphthalen-2-yl-3-[(4-propan-2-ylpheny l)methylidene]furan-2-one
  • MW: 340.414 | Formula: C24H20O2
  • H donors: 0 H acceptors: 1 LogP: 6.36 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)/C=C/1\C=C(OC1=O)c1ccc2c(c1)cccc2)C
  • InChi: 1S/C24H20O2/c1-16(2)18-9-7-17(8-10-18)13-22-15-23(26-24(22)25)21-12-11-19-5-3-4-6-20(19)14-21/h3-16H,1-2H3/b22-13+
  • InChiKey: NTKKXMINIPBLPE-LPYMAVHISA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-naphthalen-2-yl-3-[(4-propan-2-ylphenyl)methylidene]furan-2-one
  • (3E)-3-[(4-isopropylphenyl)methylene]-5-(2-naphthyl)furan-2-one
  • 3-[(4-isopropylphenyl)methylene]-5-(2-naphthyl)furan-2-one
  • 3-[(4-isopropylphenyl)methylene]-5-(2-naphthyl)-2-furanone
  • (3E)-3-[(4-isopropylphenyl)methylene]-5-(2-naphthyl)-2-furanone
  • (3E)-3-(4-isopropylbenzylidene)-5-(2-naphthyl)furan-2-one
  • 3-(4-isopropylbenzylidene)-5-(2-naphthyl)furan-2-one
  • 6278-14-4
  • NSC-35049
  • NCIStruc1_001140
  • NCIStruc2_001561
  • NSC35049
  • 3-(4-isopropylbenzylidene)-5-(2-naphthyl)-2(3H)-furanone
  • NCI60_003123
  • NCGC00013402

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
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1048 0.6823 1
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0419 0.1899 0.1899
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0177 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.074 0.4408 0.4408
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.1048 0.6823 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 0.5
Brugia malayi translation initiation factor 4E 0.1048 0.6823 0.7921
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0177 0 0.5
Loa Loa (eye worm) translation initiation factor 4E 0.1048 0.6823 0.6823
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.1454 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 1
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.1048 0.6823 0.6823
Plasmodium vivax 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0177 0 0.5
Plasmodium falciparum phosphodiesterase gamma, putative 0.0177 0 0.5
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.1277 0.8614 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1277 0.8614 0.8614
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0177 0 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 1
Toxoplasma gondii 3'5'-cyclic nucleotide phosphodiesterase domain-containing protein 0.1454 1 1
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.1048 0.6823 1
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 0.5
Echinococcus granulosus raf serine:threonine protein kinase 0.074 0.4408 0.4408
Echinococcus multilocularis raf serine:threonine protein kinase 0.074 0.4408 0.4408
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1454 1 1
Plasmodium falciparum 3',5'-cyclic nucleotide phosphodiesterase, putative 0.0177 0 0.5
Giardia lamblia CAMP-specific 3,5-cyclic phosphodiesterase 4B 0.1454 1 1
Leishmania major eukaryotic translation initiation factor-like 0.1048 0.6823 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1277 0.8614 0.8614
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.1048 0.6823 0.6823
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1454 1 1
Plasmodium vivax cyclic nucleotide phosphodiesterase, putative 0.0177 0 0.5
Loa Loa (eye worm) raf kinase 0.0736 0.4379 0.4379
Loa Loa (eye worm) hypothetical protein 0.1454 1 1
Leishmania major eukaryotic translation initiation factor-like protein 0.1048 0.6823 1
Plasmodium falciparum cGMP-specific phosphodiesterase 0.0177 0 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1454 1 1
Plasmodium falciparum phosphodiesterase delta, putative 0.0177 0 0.5
Plasmodium vivax phosphodiesterase gamma, putative 0.0177 0 0.5
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.1048 0.6823 0.6823
Brugia malayi Raf kinase 0.0714 0.4206 0.4882
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.1048 0.6823 0.6823
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.1048 0.6823 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.1277 0.8614 0.8614

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.