Detailed information for compound 1657925

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 302.451 | Formula: C20H30O2
  • H donors: 2 H acceptors: 2 LogP: 5.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC/C(=C/CC[C@@H]([C@@H]1CC[C@H](c2c1cc(C)cc2O)C)C)/C
  • InChi: 1S/C20H30O2/c1-13(12-21)6-5-7-15(3)17-9-8-16(4)20-18(17)10-14(2)11-19(20)22/h6,10-11,15-17,21-22H,5,7-9,12H2,1-4H3/b13-6+/t15-,16+,17-/m0/s1
  • InChiKey: HHDPTAKYBRENRR-HCHVNFJNSA-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 angiogenesis inhibito 0.0281 0.2143 0.2143
Echinococcus granulosus a disintegrin and metalloproteinase with 0.0417 0.4044 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.1879 0.1879
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0144 0.0223 0.0552
Echinococcus granulosus adam 0.0278 0.2102 0.4918
Loa Loa (eye worm) hypothetical protein 0.0844 1 1
Loa Loa (eye worm) hypothetical protein 0.0135 0.0096 0.0096
Echinococcus multilocularis a disintegrin and metalloproteinase with 0.0417 0.4044 1
Loa Loa (eye worm) hypothetical protein 0.0144 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0337 0.2919 0.2919
Brugia malayi hypothetical protein 0.0278 0.2102 0.2102
Onchocerca volvulus Papilin homolog 0.0259 0.1831 0.5
Loa Loa (eye worm) angiogenesis inhibito 0.0147 0.0264 0.0264
Echinococcus multilocularis adam 17 protease 0.016 0.0454 0.0605
Schistosoma mansoni adam (A disintegrin and metalloprotease 0.0278 0.2102 0.5199
Schistosoma mansoni subfamily M12B unassigned peptidase (M12 family) 0.0144 0.0223 0.0552
Loa Loa (eye worm) hypothetical protein 0.0259 0.1831 0.1831
Schistosoma mansoni ADAM17 peptidase (M12 family) 0.016 0.0454 0.1124
Brugia malayi ADAMTS-like protease 0.0281 0.2143 0.2143
Loa Loa (eye worm) reprolysin 0.0144 0.0223 0.0223
Echinococcus multilocularis adam 0.0278 0.2102 0.4918
Schistosoma mansoni ADAMTS5 peptidase (M12 family) 0.0417 0.4044 1
Echinococcus granulosus adam 17 protease 0.0176 0.0677 0.1189

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 25.8 uM Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by MABA method ChEMBL. 22626551

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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