Detailed information for compound 315598

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 239.226 | Formula: C14H9NO3
  • H donors: 0 H acceptors: 3 LogP: 1.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc2c1C(=O)c1cnccc1C2=O
  • InChi: 1S/C14H9NO3/c1-18-11-4-2-3-9-12(11)14(17)10-7-15-6-5-8(10)13(9)16/h2-7H,1H3
  • InChiKey: YGNXLFRYNTXWCD-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 mitogen-activated protein kinase, putative,map kinase-like protein 0.0022 0 0.5
Echinococcus granulosus cyclin dependent kinase 9 0.0065 0.0263 0.0263
Giardia lamblia Kinase, CDC7 0.1682 1 1
Trypanosoma brucei protein kinase, putative 0.0022 0 0.5
Leishmania major serine/threonine kinase-like protein, putative 0.0022 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1682 1 1
Schistosoma mansoni kinase 0.0057 0.0217 0.0217
Echinococcus multilocularis CDC7 cell division cycle 7 0.1682 1 1
Plasmodium vivax serine/threonine protein kinase KIN, putative 0.0022 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.1682 1 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0022 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.1682 1 1
Echinococcus multilocularis cyclin dependent kinase 9 0.0057 0.0217 0.0217
Loa Loa (eye worm) CMGC/CDK/CDK9 protein kinase 0.0057 0.0217 0.0217
Plasmodium falciparum MO15-related protein kinase 0.0022 0 0.5
Trichomonas vaginalis CMGC family protein kinase 0.1682 1 1
Onchocerca volvulus 0.1682 1 0.5
Plasmodium vivax cyclin dependent kinase 7 (cdk7), putative 0.0022 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0057 0.0217 0.0217
Brugia malayi cyclin-dependent kinase 9 0.0057 0.0217 0.0217
Trypanosoma cruzi serine/threonine protein kinase, putative 0.0022 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0057 0.0217 1
Trypanosoma cruzi Mitogen-activated protein kinase 10, putative 0.0022 0 0.5
Loa Loa (eye worm) CDC7 protein kinase 0.1682 1 1
Loa Loa (eye worm) hypothetical protein 0.0248 0.1363 0.1363
Echinococcus granulosus cyclin dependent kinase 9 0.0057 0.0217 0.0217
Echinococcus granulosus CDC7 cell division cycle 7 0.1682 1 1
Onchocerca volvulus 0.1682 1 0.5
Echinococcus multilocularis cyclin dependent kinase 9 0.0065 0.0263 0.0263
Trypanosoma brucei Mitogen-activated protein kinase 10, putative 0.0022 0 0.5

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 3.13 ug ml-1 Minimum inhibitory concentration of the compound was determined against Bacillus subtilis ChEMBL. 15686916
MIC (functional) = 3.13 ug ml-1 Minimum inhibitory concentration of the compound was determined against Schizosaccharomyces pombe ChEMBL. 15686916
MIC (functional) = 6.25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Pseudomonas aeruginosa ChEMBL. 15686916
MIC (functional) = 6.25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Rhodotorula rubra ChEMBL. 15686916
MIC (functional) = 12.5 ug ml-1 Minimum inhibitory concentration of the compound was determined against Staphylococcus aureus ChEMBL. 15686916
MIC (functional) = 12.5 ug ml-1 Minimum inhibitory concentration of the compound was determined against Aspergillus niger ChEMBL. 15686916
MIC (functional) = 12.5 ug ml-1 Minimum inhibitory concentration of the compound was determined against Penicillium chrysogenum ChEMBL. 15686916
MIC (functional) = 25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Rhizopus chinensis ChEMBL. 15686916
MIC (functional) = 25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Mucor mucedo ChEMBL. 15686916
MIC (functional) = 25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Saccharomyces cerevisiae ChEMBL. 15686916
MIC (functional) = 25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Candida utilis ChEMBL. 15686916
MIC (functional) = 25 ug ml-1 Minimum inhibitory concentration of the compound was determined against Saccharomyces cerevisiae ChEMBL. 15686916
MIC (functional) = 50 ug ml-1 Minimum inhibitory concentration of the compound was determined against Proteus vulgaris ChEMBL. 15686916
MIC (functional) > 100 ug ml-1 Minimum inhibitory concentration of the compound was determined against Escherichia coli ChEMBL. 15686916
MIC (functional) > 100 ug ml-1 Minimum inhibitory concentration of the compound was determined against Escherichia coli ChEMBL. 15686916

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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