Detailed information for compound 433099

Basic information

Technical information
  • TDR Targets ID: 433099
  • Name: 2-(3-butan-2-ylphenyl)propanoic acid
  • MW: 206.281 | Formula: C13H18O2
  • H donors: 1 H acceptors: 2 LogP: 3.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(c1cccc(c1)C(C(=O)O)C)C
  • InChi: 1S/C13H18O2/c1-4-9(2)11-6-5-7-12(8-11)10(3)13(14)15/h5-10H,4H2,1-3H3,(H,14,15)
  • InChiKey: JGMYJFQSLABRQP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(3-sec-butylphenyl)propanoic acid
  • 2-(3-sec-butylphenyl)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
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.5502
Loa Loa (eye worm) phosphatidylinositol 3 0.006 0.0494 0.0495
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0075 0.0805 0.1771
Onchocerca volvulus 0.0252 0.4549 1
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0075 0.0805 0.0805
Brugia malayi hypothetical protein 0.0196 0.3365 0.3371
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.0805 0.0807
Schistosoma mansoni fkbp-rapamycin associated protein 0.0037 0.000000028078 0.000000028078
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.1168
Loa Loa (eye worm) TKL/STKR/TYPE2 protein kinase 0.0197 0.3381 0.3386
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.5502
Loa Loa (eye worm) phosphatidylinositol kinase 0.0215 0.3768 0.3774
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.006 0.0494 0.0716
Echinococcus multilocularis activin receptor type 0.0231 0.4094 0.4094
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.006 0.0494 0.6131
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0106 0.1464 0.1464
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0075 0.0805 0.1168
Echinococcus multilocularis 0.006 0.0494 0.0494
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0075 0.0805 1
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0075 0.0805 0.1771
Loa Loa (eye worm) phosphatidylinositol 3 0.0038 0.0036 0.0036
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.0197 0.3381 0.3386
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.5502
Loa Loa (eye worm) phosphatidylinositol 3 0.0075 0.0805 0.0807
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0038 0.0036 0.0052
Echinococcus granulosus TGF-beta receptor type-1 0.0511 1 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1864 0.1867
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0075 0.0805 0.0805
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.0106 0.1464 0.2122
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0075 0.0805 1
Loa Loa (eye worm) hypothetical protein 0.0125 0.1864 0.1867
Schistosoma mansoni biogenic amine (5HT) receptor 0.0125 0.1864 0.1864
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0215 0.3768 0.3768
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.3768 0.3768
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.3768 0.3768
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0075 0.0805 0.0805
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0075 0.0805 0.1168
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.006 0.0494 0.0716
Echinococcus multilocularis Zinc finger, PHD finger 0.0075 0.0805 0.0805
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0106 0.1464 0.3218
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.3768 0.3768
Trichomonas vaginalis set domain proteins, putative 0.0252 0.4549 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.3768 0.3774
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.0106 0.1464 1
Echinococcus granulosus activin receptor type 0.0231 0.4094 0.4094
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.0805 0.0807
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0075 0.0805 0.0805
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0075 0.0805 0.1771
Echinococcus granulosus biogenic amine 5HT receptor 0.0125 0.1864 0.1864
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0068 0.0658 0.5068
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0075 0.0805 0.0807
Mycobacterium leprae conserved hypothetical protein 0.0037 0 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.0805 0.5502
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0364 0.6897 1
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.0075 0.0805 0.5502
Loa Loa (eye worm) hypothetical protein 0.0196 0.3365 0.3371
Plasmodium falciparum phosphatidylinositol 4-kinase 0.006 0.0494 0.6131
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0106 0.1464 0.3218
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0106 0.1464 0.1464
Leishmania major phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.1168
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.006 0.0494 0.0494
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0222 0.3904 0.391
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0106 0.1464 0.1466
Leishmania major C-8 sterol isomerase-like protein 0.0364 0.6897 1
Leishmania major phosphatidylinositol 4-kinase, putative 0.006 0.0494 0.0716
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0215 0.3768 0.3768
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0075 0.0805 0.1771
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.0106 0.1464 0.2122
Loa Loa (eye worm) hypothetical protein 0.0364 0.6897 0.6908
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.3768 0.3774
Schistosoma mansoni phosphatidylinositol 4-kinase 0.006 0.0494 0.0494
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.5502
Brugia malayi Pre-SET motif family protein 0.0222 0.3904 0.391
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0075 0.0805 0.1771
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0215 0.3768 0.3774
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0075 0.0805 0.1771
Loa Loa (eye worm) hypothetical protein 0.0075 0.0805 0.0807
Echinococcus multilocularis serotonin receptor 0.0125 0.1864 0.1864
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0106 0.1464 0.2122
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0075 0.0805 0.5502
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0075 0.0805 0.0805
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0075 0.0805 0.1771
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0075 0.0805 0.0805
Brugia malayi Protein kinase domain containing protein 0.0197 0.3381 0.3386
Brugia malayi protein C17H12.11 0.0196 0.3365 0.3371
Loa Loa (eye worm) phosphatidylinositol 3 0.0215 0.3768 0.3774
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0075 0.0805 0.0805
Echinococcus multilocularis TGF beta receptor type 1 0.0511 1 1
Giardia lamblia Phosphatidylinositol 4-kinase 0.006 0.0494 0.6131
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0075 0.0805 0.1771
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0106 0.1464 0.1466
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0075 0.0805 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.3149 0.3154
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0106 0.1464 0.1464
Brugia malayi bone morphogenetic protein type 1 receptor 0.051 0.9984 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0075 0.0805 0.0805
Echinococcus multilocularis serotonin receptor 0.0125 0.1864 0.1864
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0075 0.0805 0.1771
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.006 0.0494 0.0495
Trypanosoma cruzi phosphatidylinositol 4-kinase, putative 0.006 0.0494 0.0716
Echinococcus multilocularis serine:threonine protein kinase receptor R3 0.0231 0.4094 0.4094
Trypanosoma brucei C-8 sterol isomerase, putative 0.0364 0.6897 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0037 0 0.5
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.0106 0.1464 0.2122
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0038 0.0036 0.0243
Schistosoma mansoni protein kinase 0.023 0.4078 0.4078
Loa Loa (eye worm) hypothetical protein 0.0215 0.3768 0.3774
Schistosoma mansoni protein kinase 0.0511 1 1
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0098 0.1299 1
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0364 0.6897 0.6908
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.0075 0.0805 0.6199
Loa Loa (eye worm) TKL/STKR/TYPE1 protein kinase 0.051 0.9984 1
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0075 0.0805 0.1168

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) 0 Inhibition of CXCL1-induced cell migration in human PMN cells at 0.01 uM by chemotaxis assay ChEMBL. 17665889
Inhibition (functional) = 16 % Inhibition of CXCL8-induced chemotaxis of human polymorphonuclear cells at 10e-8 M ChEMBL. 15974585
Inhibition (functional) = 50 % Inhibition of CXCL8-induced cell migration in human PMN cells 0.1 uM chemotaxis assay ChEMBL. 17665889
Inhibition (functional) = 50 % Inhibition of interleukin-8 induced chemotaxis of human polymorphonuclear cells at 100 nM ChEMBL. 15974585

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

2 literature references were collected for this gene.

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