Detailed information for compound 1996717

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 388.381 | Formula: C18H23F3N2O4
  • H donors: 1 H acceptors: 2 LogP: 3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(CO[C@@H]1C[C@@H]2N(C1)C(=O)N(C2)c1ccc(cc1)OC(F)(F)F)O
  • InChi: 1S/C18H23F3N2O4/c1-2-3-14(24)11-26-16-8-13-9-22(17(25)23(13)10-16)12-4-6-15(7-5-12)27-18(19,20)21/h4-7,13-14,16,24H,2-3,8-11H2,1H3/t13-,14?,16+/m0/s1
  • InChiKey: WOLQAMHBUVHCOD-XWDNMSNZSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lipase, hormone-sensitive Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum ko:K07188 hormone-sensitive lipase [EC3.1.1.79], putative Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma japonicum Hormone-sensitive lipase, putative Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus multilocularis hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132840 All targets in OG5_132840
Echinococcus granulosus hormone sensitive lipase Get druggable targets OG5_132840 All targets in OG5_132840
Schistosoma mansoni hormone-sensitive lipase (S09 family) Get druggable targets OG5_132840 All targets in OG5_132840

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
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.9598 1
Trichomonas vaginalis glucosylceramidase, putative 0.0262 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0262 1 1
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Schistosoma mansoni eyes absent homolog 0.0097 0.2637 0.2747
Brugia malayi hypothetical protein 0.0097 0.2637 0.2637
Schistosoma mansoni hypothetical protein 0.0187 0.6642 0.692
Trichomonas vaginalis glucosylceramidase, putative 0.0262 1 1
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0262 1 1
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0253 0.9598 0.9454
Echinococcus multilocularis geminin 0.0187 0.6642 0.692
Entamoeba histolytica hypothetical protein 0.0038 0 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.6389 0.1027
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.9598 1
Schistosoma mansoni hormone-sensitive lipase (S09 family) 0.0253 0.9598 1
Echinococcus granulosus geminin 0.0187 0.6642 0.692
Echinococcus granulosus hormone sensitive lipase 0.0253 0.9598 1
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.6389 0.1027
Schistosoma mansoni hypothetical protein 0.0187 0.6642 0.692
Echinococcus multilocularis hormone sensitive lipase 0.0253 0.9598 1
Trichomonas vaginalis glucosylceramidase, putative 0.0262 1 1
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.5976 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0262 1 1
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0262 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 635 nM BindingDB_Patents: Colorimetric Assay. Human hormone-sensitive lipase (HSL) enzyme assay: HSL enzyme activity was measured by a colorimetic assay. ChEMBL. No reference

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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