Detailed information for compound 433098

Basic information

Technical information
  • TDR Targets ID: 433098
  • Name: 2-(3-pentan-3-ylphenyl)propanoic acid
  • MW: 220.307 | Formula: C14H20O2
  • H donors: 1 H acceptors: 2 LogP: 4.17 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1cccc(c1)C(C(=O)O)C)CC
  • InChi: 1S/C14H20O2/c1-4-11(5-2)13-8-6-7-12(9-13)10(3)14(15)16/h6-11H,4-5H2,1-3H3,(H,15,16)
  • InChiKey: RQGUCBJZHOMALT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(1-ethylpropyl)phenyl]propanoic acid
  • 2-[3-(1-ethylpropyl)phenyl]propionic acid

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma cruzi target of rapamycin kinase 3 0.06 0.0468 0.1517
Trichomonas vaginalis PIKK family atypical protein kinase 0.0491 0.0274 0.5854
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.06 0.0468 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.06 0.0468 0.0468
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0491 0.0274 0.5854
Trichomonas vaginalis PIKK family atypical protein kinase 0.0377 0.0069 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Loa Loa (eye worm) phosphatidylinositol 3 0.06 0.0468 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma cruzi hypothetical protein, conserved 0.2062 0.3082 1
Loa Loa (eye worm) hypothetical protein 0.0377 0.0069 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.06 0.0468 0.1517
Toxoplasma gondii target of rapamycin (TOR), putative 0.06 0.0468 1
Trichomonas vaginalis conserved hypothetical protein 0.0377 0.0069 0.1478
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0376 0.0067 0.0219
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Giardia lamblia GTOR 0.06 0.0468 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Toxoplasma gondii FATC domain-containing protein 0.0491 0.0274 0.5135
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0491 0.0274 0.5135
Echinococcus granulosus serine protein kinase ATM 0.0491 0.0274 0.0274
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.06 0.0468 0.0468
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Loa Loa (eye worm) hypothetical protein 0.0376 0.0067 0.1442
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.5931 1 1
Entamoeba histolytica hypothetical protein 0.0491 0.0274 0.5854
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.06 0.0468 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0491 0.0274 0.5854
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.06 0.0468 0.0468
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Leishmania major hypothetical protein, conserved 0.2177 0.3288 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.06 0.0468 0.1517
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0491 0.0274 0.0888
Echinococcus multilocularis serine protein kinase ATM 0.0491 0.0274 0.0274
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.06 0.0468 0.1517
Trypanosoma brucei target of rapamycin kinase 3, putative 0.06 0.0468 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.06 0.0468 0.0468
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Loa Loa (eye worm) phosphatidylinositol 3 0.06 0.0468 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.06 0.0468 0.1517
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.06 0.0468 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 58 % Inhibition of CXCL8-induced cell migration in human PMN cells at 0.01 uM by chemotaxis assay ChEMBL. 17665889
Inhibition (functional) = 67 % 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

Bibliographic References

1 literature reference was collected for this gene.

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