Detailed information for compound 326192

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 124.18 | Formula: C8H12O
  • H donors: 1 H acceptors: 1 LogP: 0.96 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC1C2CCC(C1=C)C2
  • InChi: 1S/C8H12O/c1-5-6-2-3-7(4-6)8(5)9/h6-9H,1-4H2
  • InChiKey: HRHWYMYFFLHQCE-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
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0267 0.9197 0.9197
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0 0.5
Brugia malayi nuclear hormone receptor 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Brugia malayi steroid hormone receptor 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0 0.5
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0289 1 1
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0021 0 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0267 0.9197 1
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0 0.5
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0 0.5
Brugia malayi nuclear receptor NHR-88 0.0021 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0289 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0021 0 0.5
Brugia malayi ecdysteroid receptor 0.0021 0 0.5
Schistosoma mansoni hypothetical protein 0.0267 0.9197 0.9197
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0021 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0 0.5
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0 0.5
Onchocerca volvulus 0.0021 0 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Fold selectivity (functional) = 1 Fold selectivity expressed as ratio of LC50 for Caki cells with non-mutant p53 to LC50 for Ramos RA1 cells with a mutation at Asp 254 ChEMBL. 15482940
Fold selectivity (functional) = 3.9 Fold selectivity expressed as ratio of LC50 for Caki cells with non-mutant p53 to LC50 for C33A cells with a mutation at Cys 273 ChEMBL. 15482940
LC50 (functional) = 206 uM Lethal concentration required to kill 50% C33A cells of the human cervical cells with a mutation at Cys 273 ChEMBL. 15482940
LC50 (functional) = 206 uM Lethal concentration required to kill 50% C33A cells of the human cervical cells with a mutation at Cys 273 ChEMBL. 15482940
LC50 (functional) = 805 uM Lethal concentration required to kill 50% Ramos RA1 cells of the human lymphocyte with a mutation at Asp 254 ChEMBL. 15482940
LC50 (functional) = 805 uM Lethal concentration required to kill 50% Caki-1 cells of the human renal carcinoma with non-mutant wt p53 ChEMBL. 15482940
LC50 (functional) = 805 uM Lethal concentration required to kill 50% Caki-1 cells of the human renal carcinoma with non-mutant wt p53 ChEMBL. 15482940

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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