Detailed information for compound 41148

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 385.243 | Formula: C20H14Cl2N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=Cn1nc(c2ccc(cc2)Cl)c(c(c1=O)C(=O)C)c1ccc(cc1)Cl
  • InChi: 1S/C20H14Cl2N2O2/c1-3-24-20(26)17(12(2)25)18(13-4-8-15(21)9-5-13)19(23-24)14-6-10-16(22)11-7-14/h3-11H,1H2,2H3
  • InChiKey: MKSRPKFXSVJQIN-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
Schistosoma mansoni serine/threonine protein kinase 0.0338 0.6377 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.2777 0.2746
Brugia malayi Protein kinase c protein 2 0.0259 0.4418 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0081 0.0043 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0213 0.3296 0.5135
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Toxoplasma gondii AGC kinase 0.0081 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0404 0.7997 0.7988
Echinococcus granulosus RNA directed DNA polymerase 0.0192 0.2777 0.4316
Schistosoma mansoni serine/threonine protein kinase 0.0338 0.6377 1
Entamoeba histolytica protein kinase, putative 0.0081 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0461 0.9413 0.9411
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Echinococcus multilocularis RNA directed DNA polymerase 0.0192 0.2777 0.4316
Echinococcus multilocularis serine threonine protein kinase 0.0281 0.4961 0.7764
Entamoeba histolytica protein kinase, putative 0.0081 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.0404 0.7997 0.7988
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Echinococcus granulosus Protein kinase C brain isozyme 0.0338 0.6377 1
Entamoeba histolytica protein kinase, putative 0.0081 0.0043 0.5
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0192 0.2777 0.4316
Loa Loa (eye worm) hypothetical protein 0.0249 0.4193 0.4168
Loa Loa (eye worm) hypothetical protein 0.0404 0.7997 0.7988
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0213 0.3296 0.3267
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0338 0.6377 1
Echinococcus granulosus protein kinase C gamma type 0.0281 0.4961 0.7764
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Schistosoma mansoni atypical protein kinase C 0.0139 0.1459 0.2236
Echinococcus multilocularis protein kinase c iota type 0.0139 0.1459 0.2236
Brugia malayi protein kinase C II. 0.0213 0.3296 0.7436
Onchocerca volvulus 0.0404 0.7997 0.5
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Echinococcus multilocularis protein kinase c epsilon type 0.0213 0.3296 0.5135
Echinococcus multilocularis serine:threonine protein kinase N2 0.0148 0.1699 0.2614
Echinococcus granulosus protein kinase c epsilon type 0.0213 0.3296 0.5135
Echinococcus granulosus protein kinase c iota type 0.0139 0.1459 0.2236
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0201 0.3001 0.2971
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Trichomonas vaginalis AGC family protein kinase 0.0081 0.0043 1
Entamoeba histolytica protein kinase, putative 0.0081 0.0043 0.5

Activities

Activity type Activity value Assay description Source Reference
BP (functional) NA 0 mmHg Antihypertensive activity in spontaneously hypertensive rats, measured as average blood pressure at 100 mg/kg,po before predose; No significant lowering of blood pressure ChEMBL. 7452694

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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