Detailed information for compound 992835

Basic information

Technical information
  • TDR Targets ID: 992835
  • Name: 1-cyclohexyl-4-methyl-5-methylidene-2-oxopyrr ole-3-carbonitrile
  • MW: 216.279 | Formula: C13H16N2O
  • H donors: 0 H acceptors: 2 LogP: 2.11 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(C)C(=C)N(C1=O)C1CCCCC1
  • InChi: 1S/C13H16N2O/c1-9-10(2)15(13(16)12(9)8-14)11-6-4-3-5-7-11/h11H,2-7H2,1H3
  • InChiKey: OBRHYKYTXRHKOK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-cyclohexyl-4-methyl-5-methylene-2-oxo-pyrrole-3-carbonitrile
  • 1-cyclohexyl-4-methyl-5-methylene-2-oxo-3-pyrrolecarbonitrile
  • 1-cyclohexyl-2-keto-4-methyl-5-methylene-3-pyrroline-3-carbonitrile
  • 1-cyclohexyl-4-methyl-5-methylidene-2-oxo-pyrrole-3-carbonitrile

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
Toxoplasma gondii calcium binding egf domain-containing protein 0.0031 0.0458 0.5
Echinococcus multilocularis Tolloid protein 1 0.0096 1 1
Brugia malayi Matrixin family protein 0.0056 0.407 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0084 0.8178 0.8091
Loa Loa (eye worm) hypothetical protein 0.0092 0.9427 0.9427
Schistosoma mansoni hypothetical protein 0.0033 0.0698 0.0698
Loa Loa (eye worm) matrixin family protein 0.0056 0.407 0.407
Loa Loa (eye worm) hypothetical protein 0.0039 0.1652 0.1652
Loa Loa (eye worm) matrixin family protein 0.0051 0.3396 0.3396
Brugia malayi Calcium binding EGF domain containing protein 0.0031 0.0458 0.1125
Brugia malayi Hemopexin family protein 0.0033 0.0698 0.1714
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0084 0.8178 0.8091
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0031 0.0458 0.0458
Loa Loa (eye worm) AStacin protease 0.006 0.4721 0.4721
Mycobacterium leprae PROBABLE HYDROLASE 0.0028 0.0023 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.0023 0.0023
Onchocerca volvulus Matrilysin homolog 0.0051 0.3396 1
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0028 0.0023 0.0057
Onchocerca volvulus 0.0033 0.0698 0.2054
Toxoplasma gondii calcium binding egf domain-containing protein 0.0031 0.0458 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0051 0.3396 1
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0096 1 1
Mycobacterium ulcerans hydrolase 0.0028 0.0023 0.5
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0096 1 1
Brugia malayi Fibulin-1 precursor 0.0031 0.0458 0.1125
Loa Loa (eye worm) hypothetical protein 0.0031 0.0458 0.0458
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0028 0.0023 0.5

Activities

No activities found for this compound.

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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