Detailed information for compound 1774490

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 177.2 | Formula: C10H11NO2
  • H donors: 1 H acceptors: 1 LogP: 1.67 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc2c(c1)NC(=O)CO2
  • InChi: 1S/C10H11NO2/c1-2-7-3-4-9-8(5-7)11-10(12)6-13-9/h3-5H,2,6H2,1H3,(H,11,12)
  • InChiKey: TWYRMESOIJMLJN-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
Brugia malayi prolyl oligopeptidase family protein 0.0142 0.0625 0.0589
Loa Loa (eye worm) pyruvate kinase-PB 0.0363 0.4659 0.4638
Echinococcus multilocularis pyruvate kinase 0.0411 0.5531 0.7104
Echinococcus granulosus pyruvate kinase 0.0267 0.2911 0.331
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.052 0.7531 0.5
Trypanosoma brucei pyruvate kinase 1, putative 0.052 0.7531 1
Onchocerca volvulus Pyruvate kinase homolog 0.052 0.7531 0.6672
Echinococcus multilocularis pyruvate kinase 0.052 0.7531 1
Echinococcus multilocularis pyruvate kinase 0.0267 0.2911 0.331
Mycobacterium leprae Probable pyruvate kinase PykA 0.052 0.7531 0.5
Chlamydia trachomatis pyruvate kinase 0.052 0.7531 0.5
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0157 0.091 0.0876
Giardia lamblia Pyruvate kinase 0.052 0.7531 1
Schistosoma mansoni pyruvate kinase 0.052 0.7531 1
Trichomonas vaginalis pyruvate kinase, putative 0.052 0.7531 0.5
Loa Loa (eye worm) hypothetical protein 0.0656 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.052 0.7531 1
Plasmodium vivax pyruvate kinase, putative 0.052 0.7531 1
Schistosoma mansoni pyruvate kinase 0.0267 0.2911 0.331
Mycobacterium ulcerans pyruvate kinase 0.052 0.7531 0.5
Brugia malayi Pyruvate kinase, M2 isozyme 0.052 0.7531 0.7522
Toxoplasma gondii pyruvate kinase PyKII 0.0267 0.2911 0.3865
Echinococcus granulosus pyruvate kinase 0.052 0.7531 1
Loa Loa (eye worm) pyruvate kinase 0.052 0.7531 0.7522
Entamoeba histolytica pyruvate kinase, putative 0.0363 0.4659 0.5
Leishmania major pyruvate kinase 0.052 0.7531 1
Echinococcus granulosus pyruvate kinase 0.0267 0.2911 0.331
Echinococcus multilocularis pyruvate kinase 0.052 0.7531 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.052 0.7531 0.7522
Loa Loa (eye worm) hypothetical protein 0.052 0.7531 0.7522
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0249 0.2582 0.2834
Trypanosoma cruzi pyruvate kinase 2, putative 0.052 0.7531 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0249 0.2582 0.2834
Loa Loa (eye worm) pyruvate kinase 0.052 0.7531 0.7522
Echinococcus granulosus pyruvate kinase 0.0267 0.2911 0.331
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0249 0.2582 0.2834
Trypanosoma brucei pyruvate kinase 1 0.052 0.7531 1
Brugia malayi prolyl oligopeptidase family protein 0.0249 0.2582 0.2554
Loa Loa (eye worm) hypothetical protein 0.0363 0.4659 0.4638
Echinococcus multilocularis pyruvate kinase 0.0267 0.2911 0.331
Leishmania major pyruvate kinase 0.052 0.7531 1
Loa Loa (eye worm) pyruvate kinase 0.052 0.7531 0.7522
Trichomonas vaginalis pyruvate kinase, putative 0.052 0.7531 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0656 1 1
Plasmodium falciparum pyruvate kinase 0.052 0.7531 1
Onchocerca volvulus Pyruvate kinase homolog 0.052 0.7531 0.6672
Toxoplasma gondii pyruvate kinase PyK1 0.052 0.7531 1
Onchocerca volvulus Pyruvate kinase homolog 0.052 0.7531 0.6672
Schistosoma mansoni pyruvate kinase 0.052 0.7531 1
Echinococcus granulosus pyruvate kinase 0.052 0.7531 1
Loa Loa (eye worm) prolyl oligopeptidase 0.0249 0.2582 0.2554
Echinococcus multilocularis pyruvate kinase 0.0267 0.2911 0.331

Activities

Activity type Activity value Assay description Source Reference
Kd (binding) = 100 uM Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay ChEMBL. 23850199

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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