Detailed information for compound 1044272

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 387.431 | Formula: C23H21N3O3
  • H donors: 0 H acceptors: 2 LogP: 3.45 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccco1)N1CCN(CC1)Cc1coc(n1)c1cccc2c1cccc2
  • InChi: 1S/C23H21N3O3/c27-23(21-9-4-14-28-21)26-12-10-25(11-13-26)15-18-16-29-22(24-18)20-8-3-6-17-5-1-2-7-19(17)20/h1-9,14,16H,10-13,15H2
  • InChiKey: VHTSRMSNYQNNGT-UHFFFAOYSA-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
Schistosoma mansoni cyclin B 0.2209 1 1
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0921 0.3202 0.3202
Trypanosoma cruzi cyclin, putative 0.2209 1 0.5
Loa Loa (eye worm) hypothetical protein 0.1288 0.514 0.514
Echinococcus granulosus cyclin b3 0.0921 0.3202 0.3202
Trichomonas vaginalis cyclins, putative 0.1511 0.6313 0.4577
Echinococcus granulosus cyclins 0.0921 0.3202 0.3202
Trichomonas vaginalis cyclin A, putative 0.2209 1 1
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.2209 1 0.5
Trypanosoma cruzi cyclin 6, putative 0.2209 1 0.5
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0921 0.3202 0.3202
Echinococcus multilocularis cyclin b3 0.0921 0.3202 0.3202
Echinococcus granulosus cyclin B3 1 0.0921 0.3202 0.3202
Loa Loa (eye worm) hypothetical protein 0.2209 1 1
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Leishmania major cyclin 0.2209 1 0.5
Trypanosoma cruzi cyclin, putative 0.2209 1 0.5
Onchocerca volvulus 0.2209 1 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.2209 1 0.5
Brugia malayi Cyclin, N-terminal domain containing protein 0.0921 0.3202 0.3202
Echinococcus granulosus cyclin B 0.2209 1 1
Plasmodium falciparum cyclin 0.0921 0.3202 0.5
Echinococcus multilocularis cyclin B 0.2209 1 1
Trichomonas vaginalis cyclins, putative 0.2209 1 1
Trichomonas vaginalis cyclin B, putative 0.2209 1 1
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Trichomonas vaginalis cyclin B, putative 0.2209 1 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.2209 1 1
Trichomonas vaginalis cyclins, putative 0.2209 1 1
Loa Loa (eye worm) hypothetical protein 0.2209 1 1
Loa Loa (eye worm) cyclin domain-containing protein 0.0921 0.3202 0.3202
Echinococcus multilocularis cyclin B3 1 0.0921 0.3202 0.3202
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Echinococcus granulosus cyclins 0.0921 0.3202 0.3202
Trichomonas vaginalis cyclin B, putative 0.2209 1 1
Entamoeba histolytica cyclin, putative 0.2209 1 1
Schistosoma mansoni cyclin B3 0.0921 0.3202 0.3202
Trichomonas vaginalis cyclins, putative 0.2209 1 1
Giardia lamblia G2/mitotic-specific cyclin B 0.2209 1 1
Schistosoma mansoni cyclins 0.0921 0.3202 0.3202
Echinococcus granulosus cyclins 0.0921 0.3202 0.3202
Toxoplasma gondii hypothetical protein 0.0699 0.2029 0.5
Trichomonas vaginalis cyclins, putative 0.2209 1 1
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Echinococcus multilocularis cyclins 0.0921 0.3202 0.3202
Echinococcus granulosus cyclins 0.0921 0.3202 0.3202
Trypanosoma brucei mitotic cyclin 6 0.2209 1 0.5
Trichomonas vaginalis cyclin B, putative 0.2209 1 1
Echinococcus granulosus cyclins 0.0921 0.3202 0.3202

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 34 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 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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