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

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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