Detailed information for compound 26825

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 272.084 | Formula: C11H7Cl2NO3
  • H donors: 1 H acceptors: 3 LogP: 2.69 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc(Cl)c2c(c1)n(C)c(cc2=O)C(=O)O
  • InChi: 1S/C11H7Cl2NO3/c1-14-7-3-5(12)2-6(13)10(7)9(15)4-8(14)11(16)17/h2-4H,1H3,(H,16,17)
  • InChiKey: PCEYTJAULJZHGW-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
Trichomonas vaginalis conserved hypothetical protein 0.0196 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0 0.5
Giardia lamblia Rrm3p helicase 0.0196 1 1
Onchocerca volvulus 0.0031 0 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0196 1 1
Onchocerca volvulus 0.0031 0 0.5
Mycobacterium ulcerans oxidoreductase 0.0031 0 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0196 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0196 1 1
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0196 1 1
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0196 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 0 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0196 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 0 0.5
Loa Loa (eye worm) oxidoreductase 0.0031 0 0.5
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0 0.5
Toxoplasma gondii aldose reductase, putative 0.0031 0 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0196 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.0031 0 0.5
Entamoeba histolytica DNA repair and recombination protein, putative 0.0196 1 1
Loa Loa (eye worm) oxidoreductase 0.0031 0 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0196 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0031 0 0.5
Schistosoma mansoni hypothetical protein 0.0196 1 1
Onchocerca volvulus 0.0031 0 0.5
Onchocerca volvulus 0.0031 0 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0196 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of [3H]-glycine binding to glycine site of N-methyl-D-aspartate glutamate receptor in rat cortical membranes ChEMBL. 1826744
IC50 (binding) > 100 uM Inhibition of [3H]-glycine binding to glycine site of N-methyl-D-aspartate glutamate receptor in rat cortical membranes ChEMBL. 1826744
Kb (binding) 0 uM Apparent dissociation constant of [3H]-glycine from N-methyl-D-aspartate glutamate receptor in rat cortical slice preparation at 100 microM; Inactive ChEMBL. 1826744
Kb (binding) 0 uM Apparent dissociation constant of [3H]-AMPA from Quisqualate receptor was determined in rat cortical slice preparation at 100 microM; Inactive ChEMBL. 1826744
Kb (binding) 0 uM Apparent dissociation constant of [3H]-kainate from ionotropic glutamate receptor kainate of rat cortical slice at 100 uM; Inactive ChEMBL. 1826744

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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