Detailed information for compound 1565165

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 234.334 | Formula: C15H22O2
  • H donors: 1 H acceptors: 2 LogP: 2.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)[C@@H]1CC[C@@]2(C(=C(C)C(=O)CC2)[C@@H]1O)C
  • InChi: 1S/C15H22O2/c1-9(2)11-5-7-15(4)8-6-12(16)10(3)13(15)14(11)17/h11,14,17H,1,5-8H2,2-4H3/t11-,14+,15-/m0/s1
  • InChiKey: OACKHCQOHPYTKY-GLQYFDAESA-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
Toxoplasma gondii PAN domain-containing protein 0.0288 0.5996 1
Chlamydia trachomatis SWIB complex protein 0.0021 0 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1671 0.5994
Toxoplasma gondii PAN domain-containing protein 0.0288 0.5996 1
Echinococcus multilocularis neuropeptide receptor A26 0.0466 1 1
Loa Loa (eye worm) hypothetical protein 0.0239 0.4907 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0049 0.0632 0.1288
Schistosoma mansoni cathepsin D (A01 family) 0.0145 0.2787 1
Plasmodium falciparum plasmepsin IV 0.0049 0.0632 1
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1671 1
Plasmodium vivax aspartyl proteinase, putative 0.0049 0.0632 1
Echinococcus granulosus neuropeptide receptor A26 0.0466 1 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0049 0.0632 0.2268
Echinococcus multilocularis neuropeptide s receptor 0.0466 1 1
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1671 1
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0095 0.1671 0.1671
Entamoeba histolytica protein kinase, putative 0.0095 0.1671 0.5
Chlamydia trachomatis DNA topoisomerase I 0.0021 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0049 0.0632 0.1288
Brugia malayi sulfakinin receptor protein 0.0239 0.4907 1
Plasmodium falciparum plasmepsin I 0.0049 0.0632 1
Plasmodium falciparum plasmepsin II 0.0049 0.0632 1
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0049 0.0632 0.0632
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0049 0.0632 0.3783
Trichomonas vaginalis AGC family protein kinase 0.0095 0.1671 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0049 0.0632 0.0632
Plasmodium vivax plasmepsin IV, putative 0.0049 0.0632 1
Brugia malayi Protein kinase domain containing protein 0.0095 0.1671 0.3405
Schistosoma mansoni cathepsin D (A01 family) 0.0145 0.2787 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0095 0.1671 0.3405
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0095 0.1671 0.3405
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0095 0.1671 0.1671
Toxoplasma gondii aspartyl protease ASP1 0.0049 0.0632 0.1054
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0049 0.0632 0.1054
Plasmodium falciparum plasmepsin VI 0.0049 0.0632 1
Brugia malayi phosphoinositide-dependent protein kinase I 0.0095 0.1671 0.3405
Onchocerca volvulus 0.0021 0 0.5
Brugia malayi hypothetical protein 0.0239 0.4907 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 12.52 ug ml-1 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-induced NO production after 5 mins by Greiss method ChEMBL. 22277277
IC50 (functional) = 12.52 ug ml-1 Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFNgamma-induced NO production after 5 mins by Greiss method ChEMBL. 22277277

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Mus musculus ChEMBL23 22277277

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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