Detailed information for compound 56356

Basic information

Technical information
  • TDR Targets ID: 56356
  • Name: 2-(2,4-dimethoxyphenyl)indene-1,3-dione
  • MW: 282.291 | Formula: C17H14O4
  • H donors: 0 H acceptors: 2 LogP: 3.02 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)ccc1C1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C17H14O4/c1-20-10-7-8-13(14(9-10)21-2)15-16(18)11-5-3-4-6-12(11)17(15)19/h3-9,15H,1-2H3
  • InChiKey: QAVWHDUAVOGFOQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2,4-dimethoxyphenyl)indane-1,3-dione
  • 2-(2,4-dimethoxyphenyl)indane-1,3-quinone
  • IDI1_019469
  • EU-0000115
  • Oprea1_349293
  • CBDivE_002979
  • ST5449685
  • ChemDiv3_000151
  • 2-(2,4-dimethoxyphenyl)-1H-indene-1,3(2H)-dione
  • MLS000084657
  • SMR000019005

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
Trichomonas vaginalis immunophilin, putative 0.0645 0.9787 0.5
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0645 0.9787 0.5
Schistosoma mansoni immunophilin 0.0656 1 1
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0645 0.9787 0.8664
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0645 0.9787 1
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0656 1 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0645 0.9787 0.5
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0645 0.9787 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0645 0.9787 0.5
Leishmania major fk506-binding protein 1-like protein 0.0645 0.9787 0.5
Trichomonas vaginalis fk506-binding protein, putative 0.0645 0.9787 0.5
Leishmania major peptidylprolyl isomerase-like protein 0.0645 0.9787 0.5
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0645 0.9787 0.5
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0645 0.9787 0.5
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0645 0.9787 0.5
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0568 0.8404 0.8404
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0645 0.9787 0.5
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0656 1 0.5
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0645 0.9787 0.5
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0645 0.9787 0.5
Schistosoma mansoni immunophilin 0.0656 1 1
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0645 0.9787 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0645 0.9787 0.5
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0645 0.9787 0.8664
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0656 1 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0645 0.9787 0.5
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0645 0.9787 0.5
Loa Loa (eye worm) FKBP5 protein 0.0645 0.9787 1
Echinococcus multilocularis fk506 binding protein 0.0645 0.9787 0.9787
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0645 0.9787 0.5
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0645 0.9787 0.5

Activities

Activity type Activity value Assay description Source Reference
Control (functional) = 74 % 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) = 74 % 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) = 87 % 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) = 87 % 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) = 89 % 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) = 89 % Hypolipidemic activity in CF1 male mice at a dose of 20 mg/kg per day, serum cholesterol measured on the 9th day ChEMBL. 4067989
Potency (functional) 0.0041 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.631 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) 4.1475 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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

1 literature reference was collected for this gene.

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