Detailed information for compound 1504878

Basic information

Technical information
  • TDR Targets ID: 1504878
  • Name: 3-[5-(1-adamantyl)-2-hydroxy-3-methylidenepen tyl]-2,4-dihydroxy-6-methylbenzaldehyde
  • MW: 384.508 | Formula: C24H32O4
  • H donors: 3 H acceptors: 4 LogP: 6.36 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(C)cc(c(c1O)CC(C(=C)CCC12CC3CC(C2)CC(C1)C3)O)O
  • InChi: 1S/C24H32O4/c1-14(3-4-24-10-16-6-17(11-24)8-18(7-16)12-24)21(26)9-19-22(27)5-15(2)20(13-25)23(19)28/h5,13,16-18,21,26-28H,1,3-4,6-12H2,2H3
  • InChiKey: JRRAIKOQVWYEFJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-[5-(1-adamantyl)-2-hydroxy-3-methylene-pentyl]-2,4-dihydroxy-6-methyl-benzaldehyde
  • 3-[5-(1-adamantyl)-2-hydroxy-3-methylenepentyl]-2,4-dihydroxy-6-methylbenzaldehyde
  • 3-[3-[2-(1-adamantyl)ethyl]-2-hydroxy-but-3-enyl]-2,4-dihydroxy-6-methyl-benzaldehyde
  • 3-[5-(1-adamantyl)-2-hydroxy-3-methylidene-pentyl]-2,4-dihydroxy-6-methyl-benzaldehyde

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) MH2 domain-containing protein 0.0118 0.1271 1
Plasmodium falciparum sortilin 0.0738 0.9226 1
Schistosoma mansoni metabotropic glutamate receptor 0.004 0.0276 0.0427
Echinococcus granulosus sortilin 0.0738 0.9226 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0033 0.0256
Echinococcus granulosus metabotropic glutamate receptor 2 0.0069 0.0645 0.0699
Schistosoma mansoni metabotropic glutamate receptor 0.0069 0.0645 0.0998
Plasmodium vivax sortilin, putative 0.0738 0.9226 1
Loa Loa (eye worm) glutamate receptor 0.0082 0.0816 0.6424
Schistosoma mansoni hypothetical protein 0.0215 0.2523 0.3903
Loa Loa (eye worm) glutamate receptor 0.0032 0.0177 0.1393
Brugia malayi Receptor family ligand binding region containing protein 0.0021 0.0033 0.0256
Brugia malayi metabotropic glutamate receptor type 2 0.004 0.0276 0.2173
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0101 0.106 0.106
Brugia malayi MH2 domain containing protein 0.0118 0.1271 1
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0074 0.0717 0.5644
Loa Loa (eye worm) hypothetical protein 0.0101 0.106 0.834
Schistosoma mansoni hypothetical protein 0.0181 0.2082 0.322
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.1271 1
Loa Loa (eye worm) metabotropic GABA-B receptor subtype 2 0.0021 0.0033 0.0256
Echinococcus granulosus metabotropic glutamate receptor 5 0.0101 0.106 0.1149
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0093 0.0961 0.1486
Brugia malayi Metabotropic glutamate receptor precursor. 0.0082 0.0816 0.6424
Loa Loa (eye worm) receptor family ligand binding region containing protein 0.0021 0.0033 0.0256
Echinococcus multilocularis sortilin 0.0738 0.9226 0.9226
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0069 0.0645 0.0645
Schistosoma mansoni hypothetical protein 0.0181 0.2082 0.322
Toxoplasma gondii sortilin, putative 0.0738 0.9226 1
Schistosoma mansoni sortilin 0.0522 0.6465 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Inhibition of protein farnesyltransferase from human EC17 cells using [3H]FPP and GTP-H-Ras ChEMBL. 21306898

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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