Detailed information for compound 1621651

Basic information

Technical information
  • TDR Targets ID: 1621651
  • Name: (3Z)-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-XKZIYDEJSA-N  

Network

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Synonyms

  • (3Z)-3-[(4-isopropylphenyl)methylene]-5-(2-naphthyl)furan-2-one
  • (3Z)-3-[(4-isopropylphenyl)methylene]-5-(2-naphthyl)-2-furanone
  • (3Z)-3-(4-isopropylbenzylidene)-5-(2-naphthyl)furan-2-one
  • NCI35049

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
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.1048 0.6823 0.6823
Loa Loa (eye worm) TKL/RAF/RAF protein kinase 0.0419 0.1899 0.1899
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.1277 0.8614 0.8614
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.1048 0.6823 0.6823
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.1277 0.8614 1
Echinococcus multilocularis raf serine:threonine protein kinase 0.074 0.4408 0.4408
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.1048 0.6823 0.6823
Leishmania major eukaryotic translation initiation factor-like 0.1048 0.6823 1
Echinococcus granulosus raf serine:threonine protein kinase 0.074 0.4408 0.4408
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 0.5
Brugia malayi Raf kinase 0.0714 0.4206 0.4882
Leishmania major eukaryotic translation initiation factor-like protein 0.1048 0.6823 1
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.1277 0.8614 0.8614
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 1
Schistosoma mansoni serine/threonine protein kinase 0.074 0.4408 0.4408
Loa Loa (eye worm) raf kinase 0.0736 0.4379 0.4379
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.1048 0.6823 1
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.1048 0.6823 0.6823
Loa Loa (eye worm) translation initiation factor 4E 0.1048 0.6823 0.6823
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 1
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
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
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.1048 0.6823 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

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.819 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.8 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.712 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.423 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.416 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.412 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.316 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.243 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.118 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (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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