Detailed information for compound 954335

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 204.308 | Formula: C14H20O
  • H donors: 0 H acceptors: 1 LogP: 3.29 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#C[C@@H]1CC[C@@]2([C@@H](C1)[C@H](C)C(=O)CC2)C
  • InChi: 1S/C14H20O/c1-4-11-5-7-14(3)8-6-13(15)10(2)12(14)9-11/h1,10-12H,5-9H2,2-3H3/t10-,11+,12-,14-/m0/s1
  • InChiKey: WTYDEGOHGCWBJP-OPDFLTKYSA-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
Echinococcus granulosus methyltransferase protein 5 0.0034 0.0146 0.0147
Toxoplasma gondii histone arginine methyltransferase PRMT3 0.0034 0.0146 0.0746
Brugia malayi endonuclease G, mitochondrial precursor 0.0081 0.1953 0.1834
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0034 0.0146 0.0363
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0064 0.1296 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 0.4051
Leishmania major endonuclease G, putative 0.0081 0.1953 1
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0081 0.1953 1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.003 0 0.5
Brugia malayi TAZ zinc finger family protein 0.01 0.2673 0.2564
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0064 0.1296 0.6367
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0034 0.0146 0.0147
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0114 0.3203 0.3231
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 0.4051
Schistosoma mansoni CREB-binding protein 1 (SmCBP1) 0.01 0.2673 0.2673
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0135 0.4015 0.4015
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0081 0.1953 1
Echinococcus granulosus Endonuclease G 0.0081 0.1953 0.197
Loa Loa (eye worm) hypothetical protein 0.0135 0.4015 0.3927
Brugia malayi hypothetical protein 0.0064 0.1296 0.1168
Trypanosoma brucei endonuclease G, putative 0.0081 0.1953 1
Leishmania major arginine N-methyltransferase, type I 0.0034 0.0146 0.0746
Schistosoma mansoni CREB-binding protein 2 0.01 0.2673 0.2673
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0034 0.0146 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0135 0.4015 0.4015
Loa Loa (eye worm) hypothetical protein 0.0047 0.0644 0.0506
Echinococcus multilocularis CREB binding protein 0.0069 0.1471 0.3665
Toxoplasma gondii bicoid-interacting protein BIN3 0.0034 0.0146 0.0746
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0081 0.1953 1
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0034 0.0146 1
Echinococcus multilocularis ectonucleotide 0.0114 0.3203 0.7976
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 0.4051
Entamoeba histolytica hypothetical protein 0.0064 0.1296 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0064 0.1296 0.6367
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 1
Echinococcus multilocularis Endonuclease G 0.0081 0.1953 0.4863
Leishmania major arginine N-methyltransferase, type III, putative;with=GeneDB:Tb927.7.5490 0.0034 0.0146 0.0746
Loa Loa (eye worm) hypothetical protein 0.0135 0.4015 0.3927
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 1
Onchocerca volvulus 0.0292 1 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0135 0.4015 0.4015
Echinococcus granulosus probable protein arginine n-methyltransferase 0.029 0.9912 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 1
Schistosoma mansoni protein arginine n-methyltransferase 0.0034 0.0146 0.0146
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0081 0.1953 1
Echinococcus granulosus ectonucleotide 0.0114 0.3203 0.3231
Trypanosoma brucei endonuclease G, putative 0.0081 0.1953 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 1
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0135 0.4015 0.4015
Loa Loa (eye worm) hypothetical protein 0.0135 0.4015 0.3927
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0135 0.4015 0.3927
Trypanosoma brucei endonuclease G, putative 0.0081 0.1953 1
Schistosoma mansoni hypothetical protein 0.0034 0.0146 0.0146
Schistosoma mansoni hypothetical protein 0.0292 1 1
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0034 0.0146 0.0746
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.0292 1 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 0.4051
Loa Loa (eye worm) hypothetical protein 0.0114 0.3203 0.3102
Echinococcus granulosus CREB binding protein 0.0062 0.1208 0.1218
Echinococcus granulosus CREB binding protein 0.01 0.2673 0.2697
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0064 0.1296 0.6367
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0114 0.3203 0.7976
Trypanosoma cruzi endonuclease G, putative 0.0081 0.1953 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 0.4051
Trypanosoma cruzi endonuclease G, putative 0.0081 0.1953 1
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0034 0.0146 1
Echinococcus granulosus protein arginine N methyltransferase 7 0.0034 0.0146 0.0147
Schistosoma mansoni endonuclease related 0.0081 0.1953 0.1953
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0034 0.0146 0.0363
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 1
Plasmodium falciparum protein arginine N-methyltransferase 1 0.003 0 0.5
Loa Loa (eye worm) CBP-B 0.007 0.1505 0.1379
Loa Loa (eye worm) hypothetical protein 0.0064 0.1296 0.1168
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0135 0.4015 1

Activities

No activities found for this compound.

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

No literature references available for this target.

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