Detailed information for compound 433093

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 218.292 | Formula: C14H18O2
  • H donors: 1 H acceptors: 2 LogP: 3.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1ccc(cc1)CC1CCC1)C(=O)O
  • InChi: 1S/C14H18O2/c1-10(14(15)16)13-7-5-12(6-8-13)9-11-3-2-4-11/h5-8,10-11H,2-4,9H2,1H3,(H,15,16)
  • InChiKey: QPUYBHZICQSLAM-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
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma cruzi hypothetical protein, conserved 0.1597 0.3058 1
Loa Loa (eye worm) hypothetical protein 0.0318 0.01 0.2032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0487 0.0491 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0487 0.0491 0.1607
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0318 0.01 0.0326
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0306 0.0073 0.1478
Giardia lamblia GTOR 0.0487 0.0491 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0412 0.0317 0.6444
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma cruzi target of rapamycin kinase 3 0.0487 0.0491 0.1607
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0412 0.0317 0.6444
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0487 0.0491 0.0491
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Echinococcus multilocularis serine protein kinase ATM 0.0412 0.0317 0.0317
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Loa Loa (eye worm) hypothetical protein 0.0306 0.0073 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0487 0.0491 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0487 0.0491 0.1607
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0412 0.0317 0.1035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0412 0.0317 0.6444
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0487 0.0491 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0487 0.0491 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0487 0.0491 0.1607
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0487 0.0491 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0487 0.0491 0.0491
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0487 0.0491 0.1607
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0412 0.0317 0.5828
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0487 0.0491 0.0491
Echinococcus granulosus serine protein kinase ATM 0.0412 0.0317 0.0317
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.4599 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0306 0.0073 0.1478
Entamoeba histolytica hypothetical protein 0.0412 0.0317 0.6444
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0487 0.0491 0.0491
Toxoplasma gondii FATC domain-containing protein 0.0412 0.0317 0.5828
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0487 0.0491 1
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0487 0.0491 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0487 0.0491 1
Leishmania major hypothetical protein, conserved 0.1691 0.3275 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 55 % Inhibition of CXCL8-induced cell migration in human PMN cells at 0.01 uM by chemotaxis assay ChEMBL. 17665889
Inhibition (functional) = 59 % Inhibition of CXCL1-induced cell migration in human PMN cells at 0.01 uM by chemotaxis assay ChEMBL. 17665889

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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