Detailed information for compound 36337

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 311.16 | Formula: C15H12Cl2O3
  • H donors: 1 H acceptors: 2 LogP: 4.53 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1cc(C)ccc1Oc1cccc(c1Cl)Cl
  • InChi: 1S/C15H12Cl2O3/c1-9-5-6-12(10(7-9)8-14(18)19)20-13-4-2-3-11(16)15(13)17/h2-7H,8H2,1H3,(H,18,19)
  • InChiKey: NFOQDKLSAVRSIH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 brucei kinetoplastid kinetochore protein 10 0.0184 0.3712 1
Leishmania major protein kinase, putative 0.0184 0.3712 1
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0184 0.3712 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0482 1 1
Echinococcus multilocularis protein tyrosine kinase 0.0257 0.5255 0.5255
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0482 1 1
Echinococcus multilocularis dual specificity protein kinase clk2 0.0184 0.3712 0.3712
Schistosoma mansoni tyrosine kinase 0.0257 0.5255 0.5255
Echinococcus granulosus casein kinase I gamma 0.0062 0.112 0.112
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0482 1 1
Echinococcus multilocularis 0.018 0.3627 0.3627
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.3712 0.3712
Loa Loa (eye worm) CMGC/SRPK protein kinase 0.0055 0.0965 0.0965
Brugia malayi Protein kinase domain containing protein 0.026 0.5319 0.5319
Echinococcus granulosus expressed protein 0.0055 0.0965 0.0965
Entamoeba histolytica protein kinase, putative 0.0055 0.0965 0.5
Echinococcus multilocularis casein kinase I gamma 0.0062 0.112 0.112
Brugia malayi Protein kinase domain containing protein 0.0055 0.0965 0.0965
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.3712 0.3712
Echinococcus multilocularis expressed protein 0.0055 0.0965 0.0965
Plasmodium falciparum protein serine/threonine kinase-1 0.0184 0.3712 1
Giardia lamblia Kinase, CMGC CLK 0.0184 0.3712 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0184 0.3712 1
Echinococcus granulosus hypothetical protein 0.018 0.3627 0.3627
Trypanosoma brucei kinetoplastid kinetochore protein 19 0.0184 0.3712 1
Loa Loa (eye worm) casein kinase 0.0058 0.1035 0.1035
Loa Loa (eye worm) TK/FAK protein kinase 0.026 0.5319 0.5319
Echinococcus granulosus dual specificity protein kinase clk2 0.0184 0.3712 0.3712
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.112 0.112
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0482 1 1
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0482 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0482 1 1
Brugia malayi Protein kinase domain containing protein 0.0062 0.112 0.112
Plasmodium vivax serine/threonine kinase-1, putative 0.0184 0.3712 1
Leishmania major protein kinase, putative 0.0184 0.3712 1
Loa Loa (eye worm) CMGC/CLK protein kinase 0.0184 0.3712 0.3712
Trypanosoma cruzi kinetoplastid kinetochore protein 19, putative 0.0184 0.3712 1
Trypanosoma cruzi kinetoplastid kinetochore protein 10, putative 0.0184 0.3712 1
Echinococcus granulosus protein tyrosine kinase 0.0257 0.5255 0.5255
Trichomonas vaginalis CMGC family protein kinase 0.0184 0.3712 0.5
Toxoplasma gondii cell-cycle-associated protein kinase CLK, putative 0.0184 0.3712 1
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.0965 0.0965
Entamoeba histolytica protein kinase, putative 0.0055 0.0965 0.5
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0482 1 1
Brugia malayi Protein kinase domain containing protein 0.0184 0.3712 0.3712
Loa Loa (eye worm) hypothetical protein 0.018 0.3627 0.3627
Loa Loa (eye worm) protein kinase domain-containing protein 0.0062 0.112 0.112

Activities

Activity type Activity value Assay description Source Reference
Reduction (functional) = 13 Reduction in paw swelling at 100 mg/kg po dose in rat using adjuvant arthritis test. ChEMBL. 6620297
Relative potency (functional) ND 0 Potency relative to [2-(2,4-Dichloro-phenoxy)-phenyl]-acetic acid in rat adjuvant arthritis test;ND means no data. ChEMBL. 6620297

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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