Detailed information for compound 508534

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 208.34 | Formula: C14H24O
  • H donors: 0 H acceptors: 0 LogP: 3.49 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOCCC1=CCC2CC1C2(C)C
  • InChi: 1S/C14H24O/c1-4-8-15-9-7-11-5-6-12-10-13(11)14(12,2)3/h5,12-13H,4,6-10H2,1-3H3
  • InChiKey: WTSLBPFZKIMMLD-UHFFFAOYSA-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 Ligand-binding domain of nuclear hormone receptor family protein 0.0052 0.0542 0.0542
Leishmania major cathepsin L-like protease 0.007 0.092 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0052 0.0542 0.0899
Echinococcus granulosus tumor protein p63 0.0369 0.7485 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0052 0.0542 0.0542
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0067 0.0859 0.9045
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0847 0.9819
Loa Loa (eye worm) hypothetical protein 0.0484 1 1
Leishmania major cathepsin L-like protease 0.007 0.092 1
Brugia malayi hypothetical protein 0.0259 0.5056 0.5056
Onchocerca volvulus 0.0054 0.0577 0.0037
Echinococcus multilocularis inositol monophosphatase 1 0.004 0.0277 0.037
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0052 0.0542 0.0725
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0052 0.0542 0.0542
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.0542 0.0725
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0052 0.0542 0.0542
Schistosoma mansoni hypothetical protein 0.0053 0.0548 0.0908
Brugia malayi nuclear receptor NHR-88 0.0052 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0847 0.9791
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0059 0.0674 0.0674
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0254 0.034
Echinococcus granulosus survival motor neuron protein 1 0.0259 0.5056 0.6755
Leishmania major cathepsin L-like protease 0.007 0.092 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0052 0.0542 0.0725
Brugia malayi photoreceptor-specific nuclear receptor 0.0052 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0052 0.0542 0.0542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Onchocerca volvulus 0.0053 0.0548 0.0006
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0052 0.0542 0.0725
Echinococcus multilocularis Protein lozenge 0.0061 0.0723 0.0966
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0067 0.0859 0.1424
Loa Loa (eye worm) hypothetical protein 0.0259 0.5056 0.5056
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0052 0.0542 0.0542
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0052 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0052 0.0542 0.0542
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0052 0.0542 0.0899
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0052 0.0542 0.0725
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0052 0.0542 0.0542
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0859 0.1148
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0052 0.0542 0.0542
Echinococcus granulosus ecdysone induced protein 78C 0.0052 0.0542 0.0725
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Onchocerca volvulus 0.0484 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0052 0.0542 0.0542
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0847 0.9791
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0847 0.099
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Treponema pallidum 5'-nucleotidase (ushA) 0.0303 0.6033 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0052 0.0542 0.0725
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0052 0.0542 0.0725
Echinococcus granulosus FTZ F1 alpha 0.0052 0.0542 0.0725
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0064 0.0788 0.7939
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.0542 0.0725
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0125 0.2126 0.3212
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0052 0.0542 0.0725
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0036 0.0184 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.007 0.092 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0052 0.0542 0.0542
Schistosoma mansoni RAR-like nuclear receptor 0.0052 0.0542 0.0899
Schistosoma mansoni lozenge 0.0061 0.0723 0.1199
Trypanosoma cruzi major cysteine proteinase, putative 0.0055 0.0593 0.4917
Loa Loa (eye worm) inositol-1 0.004 0.0277 0.0277
Giardia lamblia Hypothetical protein 0.0124 0.2107 0.5
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0847 0.1131
Schistosoma mansoni steroid hormone receptor ad4bp 0.0052 0.0542 0.0899
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0052 0.0542 0.0725
Trichomonas vaginalis inositol monophosphatase, putative 0.004 0.0277 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0052 0.0542 0.0725
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0052 0.0542 0.0725
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0052 0.0542 0.0899
Schistosoma mansoni survival motor neuron protein 0.0053 0.0548 0.0908
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Schistosoma mansoni coup transcription factor 0.0052 0.0542 0.0899
Loa Loa (eye worm) steroid hormone receptor 0.0052 0.0542 0.0542
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.092 1
Schistosoma mansoni thyroid hormone receptor 0.0052 0.0542 0.0899
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Echinococcus granulosus inositol monophosphatase 1 0.004 0.0277 0.037
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0067 0.0859 0.0859
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0052 0.0542 0.0542
Schistosoma mansoni inositol monophosphatase 0.004 0.0277 0.0459
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0053 0.0548 0.0548
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0052 0.0542 0.0725
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0052 0.0542 0.0542
Brugia malayi ecdysteroid receptor 0.0052 0.0542 0.0542
Loa Loa (eye worm) runx1 0.0061 0.0723 0.0723
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0302 0.6014 0.9969
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.092 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0847 0.1131
Echinococcus multilocularis ecdysone induced protein 78C 0.0052 0.0542 0.0725
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0254 0.034
Brugia malayi nuclear hormone receptor 0.0052 0.0542 0.0542
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0847 0.1404
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0254 0.0421
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0067 0.0859 0.1148
Brugia malayi steroid hormone receptor 0.0052 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0052 0.0542 0.0542
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0052 0.0542 0.0542
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0277 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0859 1
Schistosoma mansoni thyroid hormone receptor 0.0052 0.0542 0.0899
Brugia malayi hypothetical protein 0.0039 0.0254 0.0254
Trypanosoma cruzi cysteine peptidase, putative 0.007 0.092 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.004 0.0277 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0052 0.0542 0.0542
Echinococcus multilocularis survival motor neuron protein 1 0.0259 0.5056 0.6755
Schistosoma mansoni retinoic acid receptor RXR 0.0052 0.0542 0.0899
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0052 0.0542 0.0542
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0052 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0484 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0847 0.8855
Echinococcus multilocularis tumor protein p63 0.0369 0.7485 1
Schistosoma mansoni 23-cyclic-nucleotide 2-phosphodiesterase 0.0303 0.6033 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0847 0.9791
Brugia malayi Inositol-1 0.004 0.0277 0.0277
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0052 0.0542 0.0725
Schistosoma mansoni nuclear hormone receptor 0.0052 0.0542 0.0899
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0067 0.0859 1
Brugia malayi Steroid receptor seven-up type 2 0.0052 0.0542 0.0542
Entamoeba histolytica myo-inositol monophosphatase, putative 0.004 0.0277 1
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.0577 0.0957
Schistosoma mansoni hypothetical protein 0.0039 0.0254 0.0421
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0542 0.0542
Loa Loa (eye worm) hypothetical protein 0.0054 0.0577 0.0577
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0052 0.0542 0.0542
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0052 0.0542 0.0899
Schistosoma mansoni inositol monophosphatase 0.004 0.0277 0.0459
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0052 0.0542 0.0899
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0052 0.0542 0.0899
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0052 0.0542 0.0542
Echinococcus multilocularis thyroid hormone receptor alpha 0.0052 0.0542 0.0725
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0847 0.1404
Toxoplasma gondii 5'-nucleotidase, C-terminal domain-containing protein 0.0303 0.6033 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0067 0.0859 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.007 0.092 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.004 0.0277 0.5

Activities

Activity type Activity value Assay description Source Reference
Ratio (functional) = 72.5 Mosquito repellent activity in white mouse assessed as ratio of number of biting mosquito in treated to untreated control at 1.5 hrs ChEMBL. 18424131

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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