Detailed information for compound 272084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 365.532 | Formula: C23H27NOS
  • H donors: 0 H acceptors: 1 LogP: 5.31 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)c1ccc2c(c1)/C(=C\CCN(C)C)/c1c(S2)cccc1
  • InChi: 1S/C23H27NOS/c1-4-5-11-21(25)17-13-14-23-20(16-17)18(10-8-15-24(2)3)19-9-6-7-12-22(19)26-23/h6-7,9-10,12-14,16H,4-5,8,11,15H2,1-3H3/b18-10-
  • InChiKey: YNHJZOWZQHRGHY-ZDLGFXPLSA-N  

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 multilocularis cyclins 0.0285 0.3893 0.3893
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0613 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0383 0.5714 0.5714
Trichomonas vaginalis cyclin B, putative 0.0285 0.3893 0.5422
Trichomonas vaginalis cyclin D, putative 0.0285 0.3893 0.5422
Echinococcus granulosus cyclins 0.0285 0.3893 0.3893
Schistosoma mansoni cyclin B 0.0383 0.5714 0.5714
Echinococcus multilocularis cyclins 0.0285 0.3893 0.3893
Schistosoma mansoni cyclins 0.0285 0.3893 0.3893
Brugia malayi Cyclin, N-terminal domain containing protein 0.0383 0.5714 0.5714
Echinococcus multilocularis oligomeric golgi complex subunit 3 0.0139 0.1163 0.1163
Echinococcus multilocularis cyclin B3 1 0.0285 0.3893 0.3893
Brugia malayi Cyclin, N-terminal domain containing protein 0.0306 0.4274 0.4274
Onchocerca volvulus 0.0383 0.5714 0.5
Trichomonas vaginalis cyclins, putative 0.0383 0.5714 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0613 1 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.039 0.039
Brugia malayi Cyclin C 0.0139 0.1163 0.1163
Echinococcus multilocularis cyclin B 0.0383 0.5714 0.5714
Trichomonas vaginalis cyclins, putative 0.0383 0.5714 1
Echinococcus multilocularis cyclins 0.0285 0.3893 0.3893
Loa Loa (eye worm) cyclin C 0.0139 0.1163 0.1163
Loa Loa (eye worm) cyclin domain-containing protein 0.0306 0.4274 0.4274
Toxoplasma gondii hypothetical protein 0.0213 0.2548 0.5
Trichomonas vaginalis cyclins, putative 0.0383 0.5714 1
Trypanosoma brucei mitotic cyclin 6 0.0383 0.5714 0.5
Giardia lamblia G2/mitotic-specific cyclin B 0.0383 0.5714 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0202 0.2334 0.2334
Entamoeba histolytica cyclin, putative 0.0383 0.5714 1
Trichomonas vaginalis cyclins, putative 0.0383 0.5714 1
Echinococcus multilocularis cyclins 0.0285 0.3893 0.3893
Trypanosoma cruzi cyclin, putative 0.0383 0.5714 0.5
Trichomonas vaginalis cyclin B3, putative 0.0285 0.3893 0.5422
Trypanosoma cruzi cyclin 6, putative 0.0383 0.5714 0.5
Loa Loa (eye worm) cyclin domain-containing protein 0.0202 0.2334 0.2334
Leishmania major cyclin 0.0383 0.5714 0.5
Echinococcus granulosus cyclins 0.0285 0.3893 0.3893
Echinococcus granulosus cyclins 0.0285 0.3893 0.3893
Loa Loa (eye worm) hypothetical protein 0.0383 0.5714 0.5714
Trichomonas vaginalis cyclin D, putative 0.0285 0.3893 0.5422
Trichomonas vaginalis cyclin B, putative 0.0383 0.5714 1
Plasmodium falciparum cyclin 0.0285 0.3893 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0285 0.3893 0.5422
Echinococcus granulosus cyclin 0.0139 0.1163 0.1163
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0613 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0383 0.5714 0.5
Trichomonas vaginalis cyclin B, putative 0.0383 0.5714 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0383 0.5714 0.5
Trichomonas vaginalis cyclin A, putative 0.0383 0.5714 1
Echinococcus granulosus cyclin b3 0.0285 0.3893 0.3893
Echinococcus multilocularis cyclins 0.0285 0.3893 0.3893
Echinococcus granulosus oligomeric golgi complex subunit 3 0.0139 0.1163 0.1163
Echinococcus granulosus cyclin B3 1 0.0285 0.3893 0.3893
Echinococcus multilocularis cyclins 0.0285 0.3893 0.3893
Loa Loa (eye worm) hypothetical protein 0.0383 0.5714 0.5714
Echinococcus granulosus cyclin B 0.0383 0.5714 0.5714
Echinococcus multilocularis cyclin 0.0139 0.1163 0.1163
Echinococcus multilocularis cyclin b3 0.0285 0.3893 0.3893
Echinococcus granulosus cyclins 0.0285 0.3893 0.3893
Trichomonas vaginalis cyclin B, putative 0.0383 0.5714 1
Echinococcus granulosus cyclins 0.0285 0.3893 0.3893
Echinococcus multilocularis cyclins 0.0285 0.3893 0.3893
Trypanosoma cruzi cyclin, putative 0.0383 0.5714 0.5
Schistosoma mansoni cyclin B3 0.0613 1 1
Schistosoma mansoni g1/s-specific cyclin C 0.0139 0.1163 0.1163
Trichomonas vaginalis cyclins, putative 0.0285 0.3893 0.5422
Trichomonas vaginalis cyclin B, putative 0.0383 0.5714 1

Activities

Activity type Activity value Assay description Source Reference
Activity A (functional) = 1.35 uM kg-1 Reduction of the integrated electromyographic response by 50% in cat after intravenous administration ChEMBL. 7392031

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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