Detailed information for compound 425963

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 353.992 | Formula: C10H10Br2O4
  • H donors: 1 H acceptors: 1 LogP: 2.15 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(Br)cc2c(c1Br)OCC(OC2)O
  • InChi: 1S/C10H10Br2O4/c1-14-10-6(11)2-5-3-15-7(13)4-16-9(5)8(10)12/h2,7,13H,3-4H2,1H3
  • InChiKey: OSWWUIZBCASXSX-UHFFFAOYSA-N  

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
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0042 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0042 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0042 1 1
Trypanosoma cruzi Low-affinity phosphate transporter PHO91 0.0005 0.0489 0.0489
Echinococcus multilocularis xenotropic and polytropic retrovirus receptor 1 0.0005 0.0489 0.0489
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0042 1 1
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0042 1 1
Giardia lamblia Xenotropic and polytropic murine leukemia virus receptor 0.0005 0.0489 0.0489
Plasmodium falciparum protein kinase 5 0.0042 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0042 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0489 0.0489
Trichomonas vaginalis CMGC family protein kinase 0.0042 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0042 1 1
Trichomonas vaginalis CMGC family protein kinase 0.0042 1 1
Plasmodium vivax protein kinase Crk2 0.0042 1 1
Brugia malayi Protein kinase domain containing protein 0.0042 1 1
Trypanosoma cruzi CYC2-like cyclin 6, putative 0.0025 0.5771 0.5771
Trypanosoma brucei CYC2-like cyclin, putative 0.0025 0.5771 0.5771
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0042 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0042 1 1
Trypanosoma brucei cyclin 2 0.0025 0.5771 0.5771
Trypanosoma cruzi CYC2-like cyclin, putative 0.0025 0.5771 0.5771
Toxoplasma gondii vacuolar transporter chaperone VTC2 0.0005 0.0489 0.0489
Toxoplasma gondii SPX domain-containing protein 0.0005 0.0489 0.0489
Echinococcus granulosus cyclin dependent kinase 0.0042 1 1
Giardia lamblia Kinase, CMGC CDK 0.0042 1 1
Trypanosoma brucei cdc2-related kinase 1 0.0042 1 1
Toxoplasma gondii cyclin, N-terminal domain-containing protein 0.0025 0.5771 0.5771
Entamoeba histolytica cell division protein kinase 2, putative 0.0042 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0042 1 1
Echinococcus granulosus cyclin dependent kinase 5 0.0042 1 1
Echinococcus granulosus xenotropic and polytropic retrovirus receptor 1 0.0005 0.0489 0.0489
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0042 1 1
Echinococcus multilocularis cyclin dependent kinase 1 0.0042 1 1
Giardia lamblia Kinase, CMGC CDK 0.0042 1 1
Leishmania major CYC2-like cyclin, putative 0.0025 0.5771 0.5771
Echinococcus multilocularis cyclin dependent kinase 5 0.0042 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.9886 0.988
Echinococcus multilocularis cyclin dependent kinase 0.0042 1 1
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0042 1 1
Trypanosoma cruzi cdc2-related kinase 3 0.0042 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0042 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.5771 0.5771
Toxoplasma gondii cyclin2 related protein 0.0025 0.5771 0.5771
Trypanosoma brucei cdc2-related kinase 3 0.0042 1 1
Echinococcus granulosus cyclin dependent kinase 1 0.0042 1 1
Trypanosoma cruzi cdc2-related kinase 1 0.0042 1 1
Leishmania major sodium/sulphate symporter, putative 0.0005 0.0489 0.0489
Schistosoma mansoni xenotropic and polytropic murine leukemia virus receptor xpr1 0.0005 0.0489 0.0489
Trypanosoma cruzi CYC2-like cyclin 4, putative 0.0025 0.5771 0.5771
Trypanosoma cruzi cdc2-related kinase 1 0.0042 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) > 28 uM Cytotoxicity against BAEC after 2 days by MTT assay ChEMBL. 17507232
MIC (functional) > 28 uM Effect on tube formation of BAEC assessed as sprouting inhibition after 48 hrs ChEMBL. 17507232

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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