Detailed information for compound 419820

Basic information

Technical information
  • TDR Targets ID: 419820
  • Name: 2-hydroxy-2-phenylheptanoic acid
  • MW: 222.28 | Formula: C13H18O3
  • H donors: 2 H acceptors: 3 LogP: 2.99 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCC(c1ccccc1)(C(=O)O)O
  • InChi: 1S/C13H18O3/c1-2-3-7-10-13(16,12(14)15)11-8-5-4-6-9-11/h4-6,8-9,16H,2-3,7,10H2,1H3,(H,14,15)
  • InChiKey: ATFAPMGQRYMYCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-hydroxy-2-phenyl-heptanoic acid
  • 2-hydroxy-2-phenyl-enanthic 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
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0014 0.0163
Schistosoma mansoni hypothetical protein 0.0067 0.0194 0.3359
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.2616 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0083 0.0253 0.0253
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0059 0.0161 0.0161
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0071 0.0071
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0059 0.0161 0.0161
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0071 0.0071
Loa Loa (eye worm) hypothetical protein 0.0232 0.083 1
Schistosoma mansoni hypothetical protein 0.0047 0.0118 0.2046
Echinococcus granulosus zinc finger protein 0.0019 0.001 0.001
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0031 0.5
Echinococcus granulosus geminin 0.0167 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0147 0.05 0.6031
Echinococcus multilocularis muscleblind protein 1 0.0147 0.05 0.05
Loa Loa (eye worm) hypothetical protein 0.0069 0.0203 0.2446
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0031 0.5
Echinococcus multilocularis survival motor neuron protein 1 0.0232 0.083 0.083
Echinococcus multilocularis thymidine phosphorylase 0.2616 1 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0738 0.2776 0.5
Schistosoma mansoni zinc finger protein 0.0019 0.001 0.0166
Brugia malayi hypothetical protein 0.0065 0.0185 0.194
Loa Loa (eye worm) hypothetical protein 0.0025 0.0031 0.0372
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0031 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0031 0.5
Loa Loa (eye worm) hypothetical protein 0.0147 0.05 0.6031
Echinococcus multilocularis jun protein 0.0083 0.0253 0.0253
Brugia malayi hypothetical protein 0.0232 0.083 1
Leishmania major hypothetical protein, conserved 0.0025 0.0031 0.5
Schistosoma mansoni hypothetical protein 0.0167 0.0576 1
Brugia malayi Bromodomain containing protein 0.0074 0.0219 0.2368
Echinococcus multilocularis muscleblind protein 0.0147 0.05 0.05
Brugia malayi MH2 domain containing protein 0.0117 0.0387 0.4466
Loa Loa (eye worm) hypothetical protein 0.0042 0.0097 0.1166
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0031 0.5
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0021 0.0021
Schistosoma mansoni survival motor neuron protein 0.0047 0.0118 0.2046
Mycobacterium ulcerans thymidine phosphorylase 0.2616 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0118 0.1102
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0031 0.5
Brugia malayi bZIP transcription factor family protein 0.0083 0.0253 0.2792
Brugia malayi Bromodomain containing protein 0.0038 0.008 0.0633
Loa Loa (eye worm) hypothetical protein 0.008 0.0244 0.2945
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0387 0.4664
Echinococcus granulosus jun protein 0.0083 0.0253 0.0253
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0031 0.5
Echinococcus multilocularis geminin 0.0167 0.0576 0.0576
Brugia malayi hypothetical protein 0.0025 0.0031 0.0014
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0387 0.4664
Brugia malayi Muscleblind-like protein 0.0147 0.05 0.5883
Echinococcus multilocularis zinc finger protein 0.0019 0.001 0.001
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0002 0.0028
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0021 0.036
Loa Loa (eye worm) hypothetical protein 0.004 0.009 0.1079
Echinococcus granulosus survival motor neuron protein 1 0.0232 0.083 0.083
Schistosoma mansoni hypothetical protein 0.0167 0.0576 1
Schistosoma mansoni hypothetical protein 0.002 0.0014 0.0235
Schistosoma mansoni bromodomain containing protein 0.0062 0.0175 0.3033
Onchocerca volvulus 0.0065 0.0185 1
Echinococcus granulosus muscleblind protein 0.0147 0.05 0.05
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0083 0.0253 0.0253
Loa Loa (eye worm) hypothetical protein 0.0038 0.0081 0.0972
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0021 0.0021
Schistosoma mansoni jun-related protein 0.0067 0.0194 0.3359

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 500 uM Displacement of [3H]BTX-B from voltage gated sodium channel in rat cerebral cortex synaptoneurosomes ChEMBL. 15588087

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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