Detailed information for compound 1743005

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.467 | Formula: C17H28O4S
  • H donors: 0 H acceptors: 0 LogP: 4.22 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCS[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@]2([C@H]([C@H]1C)CC[C@H]4C)OO3
  • InChi: 1S/C17H28O4S/c1-5-22-14-11(3)13-7-6-10(2)12-8-9-16(4)19-15(18-14)17(12,13)21-20-16/h10-15H,5-9H2,1-4H3/t10-,11-,12+,13+,14-,15-,16+,17-/m1/s1
  • InChiKey: LSTVIQWGCBMICO-VBGZEHGNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0078 0.0457 0.0457
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0078 0.0457 0.0457
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Trichomonas vaginalis CMGC family protein kinase 0.139 1 0.5
Trichomonas vaginalis CMGC family protein kinase 0.139 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0055 0.0284 0.0284
Schistosoma mansoni RAR-like nuclear receptor 0.0055 0.0284 0.0284
Brugia malayi steroid hormone receptor 0.0055 0.0284 0.0269
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0055 0.0284 0.0284
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0055 0.0284 0.0284
Echinococcus granulosus tyrosine protein kinase Fyn 0.0078 0.0457 0.0457
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.018 0.018
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0055 0.0284 0.0269
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0071 0.0402 0.0402
Schistosoma mansoni retinoic acid receptor RXR 0.0055 0.0284 0.0284
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0055 0.0284 0.0284
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0055 0.0284 0.0269
Schistosoma mansoni tyrosine kinase 0.0078 0.0457 0.0457
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0055 0.0284 0.0284
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0055 0.0284 0.0284
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0018 0.0016 0.0016
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Schistosoma mansoni tyrosine kinase 0.0018 0.0016 0.0016
Echinococcus multilocularis protein kinase shaggy 0.139 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0078 0.0457 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0055 0.0284 0.0269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0055 0.0284 0.0106
Brugia malayi SRC-1 0.0078 0.0457 0.0442
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.004 0.018 0.018
Loa Loa (eye worm) CMGC/GSK protein kinase 0.139 1 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.139 1 1
Entamoeba histolytica protein kinase, putative 0.0021 0.0041 0.0041
Brugia malayi nuclear hormone receptor 0.0055 0.0284 0.0269
Brugia malayi nuclear receptor NHR-88 0.0055 0.0284 0.0269
Echinococcus granulosus tyrosine protein kinase Src42A 0.0078 0.0457 0.0457
Echinococcus granulosus c src tyrosine kinase 0.0018 0.0016 0.0016
Echinococcus multilocularis tyrosine protein kinase HCK 0.0063 0.0345 0.0345
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0018 0.0016 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0055 0.0284 0.0269
Entamoeba histolytica protein kinase, putative 0.0063 0.0345 0.0345
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0055 0.0284 0.0284
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0078 0.0457 0.0457
Brugia malayi Steroid receptor seven-up type 2 0.0055 0.0284 0.0269
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0055 0.0284 0.0106
Echinococcus multilocularis thyroid hormone receptor alpha 0.0055 0.0284 0.0284
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0055 0.0284 0.0269
Echinococcus granulosus tyrosine protein kinase Src42A 0.0069 0.0386 0.0386
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0055 0.0284 0.0106
Echinococcus multilocularis ecdysone induced protein 78C 0.0055 0.0284 0.0284
Brugia malayi nuclear receptor RXR 0.004 0.018 0.0164
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0055 0.0284 0.0106
Echinococcus granulosus tyrosine protein kinase HCK 0.0063 0.0345 0.0345
Echinococcus granulosus FTZ F1 alpha 0.0055 0.0284 0.0284
Brugia malayi photoreceptor-specific nuclear receptor 0.0055 0.0284 0.0269
Loa Loa (eye worm) steroid hormone receptor 0.0055 0.0284 0.0106
Entamoeba histolytica protein kinase, putative 0.139 1 1
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.004 0.018 0.018
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0078 0.0457 0.0457
Loa Loa (eye worm) SRC-1 0.0078 0.0457 0.0283
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0055 0.0284 0.0284
Echinococcus granulosus tyrosine protein kinase Fyn 0.0078 0.0457 0.0457
Brugia malayi hypothetical protein 0.004 0.018 0.0164
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Entamoeba histolytica protein kinase domain containing protein 0.139 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0078 0.0457 0.0457
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.018 0.0164
Echinococcus multilocularis tyrosine protein kinase Srms 0.0071 0.0402 0.0402
Brugia malayi Nuclear hormone receptor-like 1 0.0055 0.0284 0.0269
Schistosoma mansoni coup transcription factor 0.0055 0.0284 0.0284
Brugia malayi protein-tyrosine kinase 0.0071 0.0402 0.0387
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0055 0.0284 0.0269
Onchocerca volvulus 0.139 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0078 0.0457 0.0457
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.139 1 1
Echinococcus granulosus tyrosine protein kinase Src64B 0.0078 0.0457 0.0457
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0078 0.0457 0.0457
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0055 0.0284 0.0106
Schistosoma mansoni tyrosine kinase 0.0078 0.0457 0.0457
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0055 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0055 0.0284 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0055 0.0284 0.0269
Loa Loa (eye worm) TK protein kinase 0.0063 0.0345 0.0168
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0055 0.0284 0.0269
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.139 1 1
Entamoeba histolytica protein kinase domain containing protein 0.139 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0055 0.0284 0.0284
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0078 0.0457 0.0457
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0055 0.0284 0.0284
Onchocerca volvulus Protein ultraspiracle homolog 0.0055 0.0284 0.0246
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0055 0.0284 0.0246
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0021 0.0041 0.0041
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0055 0.0284 0.0284
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0055 0.0284 0.0284
Echinococcus multilocularis tyrosine protein kinase Blk 0.0071 0.0402 0.0402
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0055 0.0284 0.0284
Echinococcus granulosus tyrosine protein kinase Lyn 0.0092 0.0554 0.0554
Echinococcus granulosus protein kinase shaggy 0.139 1 1
Brugia malayi ecdysteroid receptor 0.0517 0.3648 0.3638
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0055 0.0284 0.0284
Plasmodium vivax glycogen synthase kinase 3, putative 0.139 1 0.5
Giardia lamblia Kinase, CMGC GSK 0.139 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0055 0.0284 0.0269
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0055 0.0284 0.0284
Echinococcus granulosus ecdysone induced protein 78C 0.0055 0.0284 0.0284
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.139 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0071 0.0402 0.0402
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0078 0.0457 0.0457
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0055 0.0284 0.0269
Echinococcus granulosus tyrosine protein kinase Blk 0.0071 0.0402 0.0402
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0055 0.0284 0.0284
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0055 0.0284 0.0269
Onchocerca volvulus 0.0055 0.0284 0.0246
Echinococcus multilocularis c src tyrosine kinase 0.0018 0.0016 0.0016
Schistosoma mansoni nuclear hormone receptor 0.0055 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0517 0.3648 0.3532
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.139 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0055 0.0284 0.0284
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.018 0.0164
Trypanosoma brucei protein kinase, putative 0.139 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0055 0.0284 0.0284
Loa Loa (eye worm) CMGC/GSK protein kinase 0.139 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0055 0.0284 0.0106
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0078 0.0457 0.0457
Onchocerca volvulus Bile acid receptor homolog 0.0517 0.3648 0.3623
Echinococcus multilocularis tyrosine protein kinase Abl 0.0018 0.0016 0.0016
Plasmodium falciparum glycogen synthase kinase 3 0.139 1 1
Schistosoma mansoni thyroid hormone receptor 0.0055 0.0284 0.0284
Schistosoma mansoni tyrosine kinase 0.0018 0.0016 0.0016
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0069 0.0386 0.0386
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0055 0.0284 0.0269
Echinococcus granulosus glycogen synthase kinase 3 beta 0.139 1 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0055 0.0284 0.0284
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0055 0.0284 0.0106
Brugia malayi hypothetical protein 0.004 0.018 0.0164
Echinococcus granulosus tyrosine kinase 0.0071 0.0402 0.0402
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0018 0.0016 0.0016
Giardia lamblia Kinase, CMGC GSK 0.139 1 0.5
Schistosoma mansoni thyroid hormone receptor 0.0055 0.0284 0.0284
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0078 0.0457 0.0457
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0055 0.0284 0.0284
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0055 0.0284 0.0269
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.004 0.018 0.018
Loa Loa (eye worm) TK protein kinase 0.0071 0.0402 0.0226

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.