Detailed information for compound 32397

Basic information

Technical information
  • TDR Targets ID: 32397
  • Name: 2-naphthalen-2-ylindene-1,3-dione
  • MW: 272.297 | Formula: C19H12O2
  • H donors: 0 H acceptors: 2 LogP: 4.32 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C(c2ccc3c(c2)cccc3)C(=O)c2c1cccc2
  • InChi: 1S/C19H12O2/c20-18-15-7-3-4-8-16(15)19(21)17(18)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,17H
  • InChiKey: BHWNKMZDGUUSLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-naphthyl)indane-1,3-dione
  • 2-(2-naphthalenyl)indane-1,3-dione
  • 2-(2-naphthyl)indane-1,3-quinone
  • 2156-11-8
  • 1,3-Indandione, 2-(2-naphthyl)-
  • 2-(2-Naphthyl)-1H-indene-1,3(2H)-dione
  • 2-beta-Naftyloindandion-1,3 [Polish]
  • 4-07-00-02649 (Beilstein Handbook Reference)
  • BRN 1979355
  • 2-Naphthalen-2-yl-indan-1,3-dione
  • TimTec1_006759
  • ST5000309
  • BAS 00128177

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Arachidonate 5-lipoxygenase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Schistosoma mansoni glutathione synthetase 0.0171 0.1236 0.1236
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0171 0.1236 0.0534
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0171 0.1236 0.5
Loa Loa (eye worm) polyprenyl synthetase 0.0678 1 1
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0678 1 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0678 1 1
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0678 1 1
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0678 1 0.5
Schistosoma mansoni memapsin-2 (A01 family) 0.0542 0.7651 0.7651
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0678 1 1
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0678 1 0.5
Schistosoma mansoni trans-prenyltransferase 0.0171 0.1236 0.1236
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0678 1 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0678 1 1
Leishmania major farnesyl pyrophosphate synthase 0.0678 1 1
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0678 1 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0171 0.1236 0.5
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0171 0.1236 0.0534
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0171 0.1236 0.0534
Schistosoma mansoni lipoxygenase 0.0142 0.0741 0.0741
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0678 1 0.5
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0678 1 1
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0171 0.1236 0.0534
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0171 0.1236 0.5
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0678 1 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0171 0.1236 0.0534
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0678 1 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0171 0.1236 0.0534
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0171 0.1236 0.5
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0171 0.1236 0.5
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0171 0.1236 0.5
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0171 0.1236 0.5
Giardia lamblia Farnesyl diphosphate synthase 0.0678 1 0.5
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0678 1 1
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0678 1 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0171 0.1236 0.1236
Treponema pallidum octaprenyl-diphosphate synthase 0.0171 0.1236 0.5

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 66 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum cholesterol measured on the 16th day ChEMBL. 4067989
Control (functional) = 66 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum triglyceride measured on the 16th day ChEMBL. 4067989
Control (functional) = 66 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum cholesterol measured on the 16th day ChEMBL. 4067989
Control (functional) = 66 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum triglyceride measured on the 16th day ChEMBL. 4067989
Control (functional) = 72 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum cholesterol measured on the 9th day ChEMBL. 4067989
Control (functional) = 72 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum cholesterol measured on the 9th day ChEMBL. 4067989
IC50 (binding) = 3.2 uM In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells. ChEMBL. No reference
IC50 (binding) = 3.2 uM In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells. 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

1 literature reference was collected for this gene.

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