Detailed information for compound 1504879

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 376.53 | Formula: C23H36O4
  • H donors: 3 H acceptors: 4 LogP: 6.56 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=Cc1c(C)cc(c(c1O)CC(C(CC[C@H]1[C@@H](C)CCCC1(C)C)C)O)O
  • InChi: 1S/C23H36O4/c1-14-7-6-10-23(4,5)19(14)9-8-15(2)20(25)12-17-21(26)11-16(3)18(13-24)22(17)27/h11,13-15,19-20,25-27H,6-10,12H2,1-5H3/t14-,15?,19-,20?/m0/s1
  • InChiKey: VMKISOBQXVKOEY-RLQQDGNTSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Brugia malayi metabotropic glutamate receptor type 2 0.0058 0.0311 0.1495
Schistosoma mansoni hypothetical protein 0.014 0.1867 0.2723
Echinococcus multilocularis muscleblind protein 0.0151 0.2077 0.2077
Echinococcus granulosus metabotropic glutamate receptor 2 0.0099 0.1089 0.0965
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0145 0.1964 0.1964
Echinococcus granulosus metabotropic glutamate receptor 5 0.0145 0.1964 0.1852
Loa Loa (eye worm) hypothetical protein 0.0151 0.2077 1
Schistosoma mansoni metabotropic glutamate receptor 0.0058 0.0311 0.0453
Schistosoma mansoni hypothetical protein 0.014 0.1867 0.2723
Schistosoma mansoni mitochondrial import inner membrane translocase subunit tim10 0.0048 0.0138 0.0201
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.0138 0.0138
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0134 0.1755 0.256
Loa Loa (eye worm) hypothetical protein 0.0151 0.2077 1
Loa Loa (eye worm) glutamate receptor 0.0118 0.145 0.6984
Schistosoma mansoni hypothetical protein 0.0167 0.237 0.3456
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0107 0.1241 0.5977
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.0138 0.0138
Brugia malayi Metabotropic glutamate receptor precursor. 0.0118 0.145 0.6984
Loa Loa (eye worm) transport to inner mitochondrial membrane family member 0.0048 0.0138 0.0662
Brugia malayi Muscleblind-like protein 0.0151 0.2077 1
Toxoplasma gondii TIM10 family protein, putative 0.0048 0.0138 0.0138
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0099 0.1089 0.1089
Schistosoma mansoni sortilin 0.0405 0.6857 1
Loa Loa (eye worm) glutamate receptor 0.0046 0.0101 0.0488
Schistosoma mansoni metabotropic glutamate receptor 0.0099 0.1089 0.1589
Loa Loa (eye worm) hypothetical protein 0.0145 0.1964 0.9458
Toxoplasma gondii mitochondrial import inner membrane translocase subunit TIM10, putative 0.0048 0.0138 0.0138
Echinococcus multilocularis muscleblind protein 1 0.0151 0.2077 0.2077
Brugia malayi Mitochondrial import inner membrane translocase subunit TIM10 0.0048 0.0138 0.0662
Echinococcus granulosus muscleblind protein 0.0151 0.2077 0.1966
Echinococcus multilocularis expressed protein 0.0048 0.0138 0.0138

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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