Detailed information for compound 1303818

Basic information

Technical information
  • TDR Targets ID: 1303818
  • Name: 3-[(2,6-dichlorophenyl)methoxy]-2-methylpyran -4-one
  • MW: 285.123 | Formula: C13H10Cl2O3
  • H donors: 0 H acceptors: 1 LogP: 3.43 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1COc1c(C)occc1=O)Cl
  • InChi: 1S/C13H10Cl2O3/c1-8-13(12(16)5-6-17-8)18-7-9-10(14)3-2-4-11(9)15/h2-6H,7H2,1H3
  • InChiKey: QIMKTDQNOABNOW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-pyran-4-one
  • 3-[(2,6-dichlorophenyl)methoxy]-2-methyl-4-pyranone
  • 3-(2,6-dichlorobenzyl)oxy-2-methyl-pyran-4-one
  • 11J-009
  • ZINC04040956

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
Loa Loa (eye worm) isocitrate dehydrogenase 0.0131 0.2553 0.2553
Brugia malayi RNA binding protein 0.0192 0.3914 0.3914
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0131 0.2553 0.6523
Echinococcus multilocularis isocitrate dehydrogenase 0.0131 0.2553 0.6523
Schistosoma mansoni smad 0.0026 0.0229 0.034
Schistosoma mansoni smad1 5 8 and 0.0026 0.0229 0.034
Toxoplasma gondii isocitrate dehydrogenase 0.0131 0.2553 1
Brugia malayi MH2 domain containing protein 0.0026 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0192 0.3917 0.3917
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0192 0.3914 0.3914
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0147 0.2923 0.7467
Trichomonas vaginalis glutaminase, putative 0.0271 0.5665 1
Loa Loa (eye worm) hypothetical protein 0.0147 0.2923 0.2923
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0147 0.2923 0.2923
Loa Loa (eye worm) transcription factor SMAD2 0.0384 0.8183 0.8183
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3914 0.5821
Brugia malayi hypothetical protein 0.0101 0.189 0.189
Brugia malayi latrophilin 2 splice variant baaae 0.0319 0.6724 0.6724
Loa Loa (eye worm) hypothetical protein 0.0466 1 1
Brugia malayi hypothetical protein 0.0065 0.1095 0.1095
Echinococcus multilocularis mothers against decapentaplegic 5 0.0026 0.0229 0.0584
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0131 0.2553 0.6523
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0147 0.2923 0.7467
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0131 0.2553 0.6523
Schistosoma mansoni smad1 5 8 and 0.0026 0.0229 0.034
Schistosoma mansoni hypothetical protein 0.0045 0.0653 0.0971
Mycobacterium ulcerans glutaminase 0.0271 0.5665 1
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3914 0.5821
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0026 0.0229 0.034
Echinococcus multilocularis tar DNA binding protein 0.0192 0.3914 1
Schistosoma mansoni hypothetical protein 0.0147 0.2923 0.4347
Brugia malayi Smad1 0.0026 0.0229 0.0229
Echinococcus granulosus mothers against decapentaplegic 5 0.0026 0.0229 0.0584
Loa Loa (eye worm) MH2 domain-containing protein 0.0384 0.8183 0.8183
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0026 0.0229 0.0584
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0131 0.2553 0.6523
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0131 0.2553 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0131 0.2553 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0131 0.2553 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0466 1 1
Loa Loa (eye worm) glutaminase 2 0.0271 0.5665 0.5665
Schistosoma mansoni Smad4 0.0026 0.0229 0.034
Loa Loa (eye worm) hypothetical protein 0.0319 0.6724 0.6724
Echinococcus granulosus tar DNA binding protein 0.0192 0.3914 1
Loa Loa (eye worm) glutaminase 0.0271 0.5665 0.5665
Brugia malayi N-terminal motif family protein 0.0192 0.3917 0.3917
Loa Loa (eye worm) TAR-binding protein 0.0192 0.3914 0.3914
Loa Loa (eye worm) RNA binding protein 0.0192 0.3914 0.3914
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0131 0.2553 0.6523
Loa Loa (eye worm) MH1 domain-containing protein 0.0026 0.0229 0.0229
Brugia malayi MH1 domain containing protein 0.0026 0.0229 0.0229
Schistosoma mansoni hypothetical protein 0.0147 0.2923 0.4347
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3914 0.5821
Schistosoma mansoni glutaminase 0.0271 0.5665 0.8425
Loa Loa (eye worm) Smad1 0.0026 0.0229 0.0229
Leishmania major hypothetical protein, conserved 0.0101 0.189 0.7404
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.0016 0 0.5
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0131 0.2553 1
Brugia malayi isocitrate dehydrogenase 0.0131 0.2553 0.2553
Echinococcus granulosus smad 0.0026 0.0229 0.0584
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3914 0.5821
Echinococcus multilocularis Smad4 0.0026 0.0229 0.0584
Echinococcus granulosus GPCR family 2 0.0147 0.2923 0.7467
Brugia malayi TAR-binding protein 0.0192 0.3914 0.3914
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0192 0.3917 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0131 0.2553 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0147 0.2923 0.7467
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0131 0.2553 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0466 1 1
Echinococcus granulosus Smad4 0.0026 0.0229 0.0584
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0016 0 0.5
Schistosoma mansoni hypothetical protein 0.0147 0.2923 0.4347
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0131 0.2553 1
Schistosoma mansoni hypothetical protein 0.0147 0.2923 0.4347
Echinococcus granulosus TGF beta signal transducer SmadC 0.0026 0.0229 0.0584
Brugia malayi MH2 domain containing protein 0.0384 0.8183 0.8183
Loa Loa (eye worm) latrophilin receptor protein 2 0.0147 0.2923 0.2923
Brugia malayi glutaminase DH11.1 0.0271 0.5665 0.5665
Brugia malayi MH1 domain containing protein 0.0026 0.0229 0.0229
Echinococcus multilocularis GPCR, family 2 0.0147 0.2923 0.7467
Entamoeba histolytica tartrate dehydrogenase, putative 0.0016 0 0.5
Toxoplasma gondii isocitrate dehydrogenase 0.0131 0.2553 1
Schistosoma mansoni tar DNA-binding protein 0.0192 0.3914 0.5821
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0147 0.2923 0.7467
Schistosoma mansoni smad1 5 8 and 0.0026 0.0229 0.034
Echinococcus multilocularis smad 0.0026 0.0229 0.0584
Brugia malayi MH2 domain containing protein 0.0026 0.0229 0.0229
Loa Loa (eye worm) hypothetical protein 0.0101 0.189 0.189
Brugia malayi Latrophilin receptor protein 2 0.0147 0.2923 0.2923
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0653 0.1669
Brugia malayi Isocitrate dehydrogenase 0.0131 0.2553 0.2553
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0653 0.1669
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0131 0.2553 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0131 0.2553 0.3797
Schistosoma mansoni hypothetical protein 0.0319 0.6724 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0026 0.0229 0.0229
Brugia malayi RNA recognition motif domain containing protein 0.0192 0.3914 0.3914

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (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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