Detailed information for compound 2070471

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.4 | Formula: C17H26N2O3
  • H donors: 1 H acceptors: 2 LogP: 1.21 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1CC(=O)N1CCN(CC1)CC(O)C)C
  • InChi: 1S/C17H26N2O3/c1-13-4-5-16(22-3)15(10-13)11-17(21)19-8-6-18(7-9-19)12-14(2)20/h4-5,10,14,20H,6-9,11-12H2,1-3H3
  • InChiKey: QKUCMVWBROUOFR-UHFFFAOYSA-N  

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
Entamoeba histolytica Ras family GTPase 0.0067 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0022 0.2597 0.2597
Trichomonas vaginalis rheb, putative 0.0067 1 1
Echinococcus granulosus cyclins 0.0022 0.2597 0.2597
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0022 0.2597 0.2597
Loa Loa (eye worm) hypothetical protein 0.0067 1 1
Giardia lamblia Cyclin A 0.0022 0.2597 0.5
Loa Loa (eye worm) hypothetical protein 0.0022 0.2597 0.2597
Trichomonas vaginalis ral, putative 0.0067 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0022 0.2597 0.5
Echinococcus granulosus ras gtpase 0.0067 1 1
Echinococcus granulosus cyclin B3 1 0.0022 0.2597 0.2597
Echinococcus granulosus cyclin B 0.0022 0.2597 0.2597
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597
Trichomonas vaginalis rap1 and, putative 0.0067 1 1
Trichomonas vaginalis ras-dva small GTPase, putative 0.0067 1 1
Echinococcus multilocularis cyclin b3 0.0022 0.2597 0.2597
Schistosoma mansoni cyclins 0.0022 0.2597 1
Entamoeba histolytica ras-1, putative 0.0067 1 1
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597
Brugia malayi Cyclin, N-terminal domain containing protein 0.0022 0.2597 0.2597
Echinococcus granulosus cyclins 0.0022 0.2597 0.2597
Brugia malayi Cyclin, N-terminal domain containing protein 0.0022 0.2597 0.2597
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0022 0.2597 0.5
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0022 0.2597 0.2597
Echinococcus granulosus cyclins 0.0022 0.2597 0.2597
Brugia malayi Ras-related protein R-Ras2 0.0067 1 1
Schistosoma mansoni cyclin B 0.0022 0.2597 1
Echinococcus multilocularis ras gtpase 0.0067 1 1
Loa Loa (eye worm) Ras protein let-60 0.0067 1 1
Echinococcus multilocularis cyclin B 0.0022 0.2597 0.2597
Echinococcus granulosus cyclins 0.0022 0.2597 0.2597
Plasmodium falciparum cyclin 0.0022 0.2597 0.5
Onchocerca volvulus 0.0022 0.2597 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0022 0.2597 0.2597
Trichomonas vaginalis GTP-binding protein rit, putative 0.0067 1 1
Trypanosoma cruzi cyclin 6, putative 0.0022 0.2597 0.5
Giardia lamblia Hypothetical protein 0.0022 0.2597 0.5
Echinococcus granulosus cyclin b3 0.0022 0.2597 0.2597
Loa Loa (eye worm) hypothetical protein 0.0022 0.2597 0.2597
Echinococcus multilocularis cyclin B3 1 0.0022 0.2597 0.2597
Entamoeba histolytica Ras family GTPase 0.0067 1 1
Giardia lamblia G2/mitotic-specific cyclin B 0.0022 0.2597 0.5
Echinococcus granulosus cyclins 0.0022 0.2597 0.2597
Schistosoma mansoni cyclin B3 0.0022 0.2597 1
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597
Toxoplasma gondii hypothetical protein 0.0016 0.1744 0.5
Leishmania major cyclin 0.0022 0.2597 0.5
Trypanosoma brucei mitotic cyclin 6 0.0022 0.2597 0.5
Trichomonas vaginalis dexras1, putative 0.0067 1 1
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597
Trypanosoma cruzi cyclin, putative 0.0022 0.2597 0.5
Trypanosoma cruzi cyclin, putative 0.0022 0.2597 0.5
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597
Echinococcus multilocularis cyclins 0.0022 0.2597 0.2597

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.