Detailed information for compound 1764300

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 274.274 | Formula: C17H10N2O2
  • H donors: 0 H acceptors: 3 LogP: 3.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1cc2ccccc2nc1Oc1ccc(cc1)C#N
  • InChi: 1S/C17H10N2O2/c18-10-12-5-7-15(8-6-12)21-17-14(11-20)9-13-3-1-2-4-16(13)19-17/h1-9,11H
  • InChiKey: INHPUQCOYRHSDA-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
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0154 0.1975 0.4171
Echinococcus granulosus glutamate NMDA receptor subunit 0.0154 0.1975 0.4171
Echinococcus multilocularis glutamate receptor 2 0.0162 0.2383 0.5033
Echinococcus multilocularis glutamate receptor NMDA 0.0176 0.3025 0.6389
Mycobacterium ulcerans glutaminase 0.032 1 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0211 0.4734 1
Echinococcus multilocularis glutamate receptor 2 0.0144 0.1506 0.3182
Echinococcus granulosus glutamate receptor 2 0.0127 0.0673 0.1422
Schistosoma mansoni glutaminase 0.032 1 1
Echinococcus granulosus glutamate receptor NMDA 0.0176 0.3025 0.6389
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0162 0.2383 0.5033
Trichomonas vaginalis glutaminase, putative 0.032 1 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0194 0.3901 0.824
Loa Loa (eye worm) glutaminase 0.032 1 1
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0162 0.2383 0.5033
Echinococcus granulosus nmda type glutamate receptor 0.0211 0.4734 1
Loa Loa (eye worm) glutaminase 2 0.032 1 1
Echinococcus multilocularis glutamate receptor 2 0.0127 0.0673 0.1422
Echinococcus granulosus nmda type glutamate receptor 0.0194 0.3901 0.824
Schistosoma mansoni glutamate receptor NMDA 0.0289 0.8521 0.8157
Echinococcus granulosus glutamate receptor 2 0.0162 0.2383 0.5033

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 42 % Antitubercular activity against Mycobacterium tuberculosis H37Rv assessed as growth inhibition at 250 ug/mL after 12 to 28 days by Lowenstein-Jensen method relative to control ChEMBL. 23567957
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli MTCC 443 assessed as growth inhibition after overnight incubation by NCCLS broth microdilution method ChEMBL. 23567957
MIC (functional) = 1000 ug ml-1 Antifungal activity against Candida albicans MTCC 227 assessed as growth inhibition after overnight incubation by NCCLS broth microdilution method ChEMBL. 23567957

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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