Detailed information for compound 1797367

Basic information

Technical information
  • TDR Targets ID: 1797367
  • Name: Spectrum5_001818
  • MW: 222.323 | Formula: C14H22O2
  • H donors: 0 H acceptors: 1 LogP: 2.31 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CC[C@H]2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C
  • InChi: 1S/C14H22O2/c1-13(2)8-9-10(13)6-7-14(3)12(16-14)5-4-11(9)15/h9-10,12H,4-8H2,1-3H3/t9-,10+,12+,14+/m0/s1
  • InChiKey: UETZJEZFLKASPR-UZWIWUQPSA-N  

Network

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Synonyms

  • Spectrum2_000315
  • KBioGR_000981
  • Spectrum_001247
  • BSPBio_002261
  • SPECTRUM300048
  • KBio2_001727
  • SPBio_000310
  • KBio2_004295
  • KBio2_006863
  • KBioSS_001727
  • KBio3_001761
  • SDCCGMLS-0066473.P001
  • Spectrum3_000801
  • Spectrum4_000641

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) histone deacetylase 7A 0.0058 0.4009 0.4009
Trypanosoma brucei histone deacetylase 3 0.0058 0.4009 0.4009
Mycobacterium tuberculosis Conserved hypothetical membrane protein 0.0054 0.3589 0.5
Plasmodium vivax histone deacetylase, putative 0.0058 0.4009 0.3025
Plasmodium falciparum histone deacetylase 1 0.0075 0.5608 0.2668
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0123 1 1
Echinococcus granulosus histone deacetylase 6 0.0058 0.4009 0.3025
Schistosoma mansoni histone deacetylase 4 5 0.0058 0.4009 0.3025
Loa Loa (eye worm) hypothetical protein 0.003 0.1412 0.1412
Trypanosoma cruzi histone deacetylase 1, putative 0.0075 0.5608 0.5608
Toxoplasma gondii histone deacetylase HDAC1 0.0058 0.4009 0.3025
Trypanosoma cruzi histone deacetylase, putative 0.0058 0.4009 0.4009
Echinococcus granulosus histone deacetylase 3 0.0075 0.5608 0.4886
Echinococcus multilocularis histone deacetylase 0.0058 0.4009 0.3025
Brugia malayi Histone deacetylase family protein 0.0058 0.4009 0.4009
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0123 1 1
Schistosoma mansoni histone deacetylase 4 5 0.0058 0.4009 0.3025
Schistosoma mansoni protein-s-isoprenylcysteine o-methyltransferase 0.0123 1 1
Leishmania major histone deacetylase, putative 0.0075 0.5608 0.5608
Echinococcus granulosus histone deacetylase 1 0.0075 0.5608 0.4886
Plasmodium vivax protein-S-isoprenylcysteine O-methyltransferase, putative 0.0123 1 1
Trypanosoma brucei histone deacetylase 4 0.0058 0.4009 0.4009
Plasmodium vivax histone deacetylase 1, putative 0.0075 0.5608 0.4886
Leishmania major histone deacetylase, putative 0.0058 0.4009 0.4009
Loa Loa (eye worm) histone deacetylase 1 0.0075 0.5608 0.5608
Loa Loa (eye worm) protein-S isoprenylcysteine O-methyltransferase 0.0123 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.5608 0.5608
Trypanosoma cruzi histone deacetylase, putative 0.0058 0.4009 0.4009
Onchocerca volvulus Histone deacetylase 10 homolog 0.003 0.1412 0.5
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0123 1 1
Echinococcus granulosus histone deacetylase 6 0.0064 0.4578 0.3687
Loa Loa (eye worm) histone deacetylase 0.0058 0.4009 0.4009
Trypanosoma brucei histone deacetylase 2 0.003 0.1412 0.1412
Toxoplasma gondii histone deacetylase HDAC2 0.0075 0.5608 0.4886
Schistosoma mansoni histone deacetylase hda2 0.0064 0.4578 0.3687
Loa Loa (eye worm) hypothetical protein 0.0034 0.1787 0.1787
Echinococcus granulosus histone deacetylase 7 0.0058 0.4009 0.3025
Brugia malayi histone deacetylase 1 (HD1) 0.0075 0.5608 0.5608
Loa Loa (eye worm) histone deacetylase 3 0.0075 0.5608 0.5608
Echinococcus multilocularis histone deacetylase 6 0.0058 0.4009 0.3025
Plasmodium falciparum protein-S-isoprenylcysteine O-methyltransferase, putative 0.0123 1 1
Echinococcus multilocularis histone deacetylase 6 0.0064 0.4578 0.3687
Trypanosoma brucei prenyl protein specific carboxyl methyltransferase 0.0123 1 1
Schistosoma mansoni histone deacetylase 0.0075 0.5608 0.4886
Echinococcus granulosus histone deacetylase 0.0058 0.4009 0.3025
Trypanosoma brucei histone deacetylase, putative 0.0058 0.4009 0.4009
Echinococcus multilocularis histone deacetylase 3 0.0075 0.5608 0.4886
Trypanosoma brucei histone deacetylase 1 0.0075 0.5608 0.5608
Trypanosoma cruzi histone deacetylase, putative 0.0058 0.4009 0.4009
Loa Loa (eye worm) histone deacetylase 11 0.003 0.1412 0.1412
Schistosoma mansoni histone deacetylase 0.0075 0.5608 0.4886
Brugia malayi Histone deacetylase family protein 0.0058 0.4009 0.4009
Plasmodium vivax histone deacetylase 2, putative 0.0058 0.4009 0.3025
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0123 1 1
Trichomonas vaginalis protein-S isoprenylcysteine O-methyltransferase, putative 0.0123 1 1
Leishmania major prenyl protein specific carboxyl methyltransferase, putative 0.0123 1 1
Echinococcus multilocularis histone deacetylase 6 0.0058 0.4009 0.3025
Echinococcus multilocularis 0.0123 1 1
Leishmania major histone deacetylase, putative 0.0058 0.4009 0.4009
Brugia malayi histone deacetylase 3 (HD3) 0.0075 0.5608 0.5608
Trypanosoma cruzi histone deacetylase, putative 0.003 0.1412 0.1412
Giardia lamblia Isoprenylcysteine carboxyl methyltransferase 0.0123 1 1
Echinococcus granulosus histone deacetylase 6 0.0058 0.4009 0.3025
Brugia malayi histone deacetylase 11 0.003 0.1412 0.1412
Mycobacterium ulcerans hypothetical protein 0.0054 0.3589 1
Brugia malayi Histone deacetylase 1 0.0075 0.5608 0.5608
Leishmania major histone deacetylase, putative 0.0075 0.5608 0.5608
Echinococcus granulosus protein S isoprenylcysteine O methyltransferase 0.0123 1 1
Toxoplasma gondii isoprenylcysteine carboxyl methyltransferase (icmt) family protein 0.0123 1 1
Echinococcus multilocularis histone deacetylase 7 0.0058 0.4009 0.3025
Trypanosoma cruzi histone deacetylase, putative 0.003 0.1412 0.1412
Trypanosoma cruzi histone deacetylase 1, putative 0.0075 0.5608 0.5608
Trypanosoma cruzi prenyl protein specific carboxyl methyltransferase, putative 0.0123 1 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.1218 0.1218
Entamoeba histolytica prenyl cysteine carboxyl methyltransferase, putative 0.0123 1 1
Toxoplasma gondii histone deacetylase HDAC3 0.0075 0.5608 0.4886
Echinococcus multilocularis histone deacetylase 1 0.0075 0.5608 0.4886

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 64.4785804 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 84.64108065 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415

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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