Detailed information for compound 816018

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 411.58 | Formula: C25H37N3O2
  • H donors: 0 H acceptors: 2 LogP: 3.54 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CC(=O)N(C(C1CCN(CC1)C(=O)C1CCC=CC1)Cc1ccccc1)C)C
  • InChi: 1S/C25H37N3O2/c1-26(2)19-24(29)27(3)23(18-20-10-6-4-7-11-20)21-14-16-28(17-15-21)25(30)22-12-8-5-9-13-22/h4-8,10-11,21-23H,9,12-19H2,1-3H3
  • InChiKey: JLPPOBHMSXHHSU-UHFFFAOYSA-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
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0052 0.0889 0.0381
Onchocerca volvulus Dual specificity protein kinase TTK homolog 0.0307 1 1
Loa Loa (eye worm) AUR protein kinase 0.0116 0.32 0.32
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0116 0.32 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0116 0.32 0.5
Giardia lamblia Aurora kinase 0.0116 0.32 0.2536
Entamoeba histolytica serine/threonine protein kinase, putative 0.0052 0.0889 0.135
Schistosoma mansoni kinase 0.0164 0.4892 0.4607
Echinococcus granulosus serine:threonine protein kinase Chk2 0.0042 0.0529 0.0001
Echinococcus multilocularis aurora kinase A 0.0116 0.32 0.282
Trichomonas vaginalis AGC family protein kinase 0.0116 0.32 0.2536
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0052 0.0889 0.0381
Trichomonas vaginalis AGC family protein kinase 0.0116 0.32 0.2536
Loa Loa (eye worm) cytochrome P450 family protein 0.0056 0.1058 0.1058
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0052 0.0889 0.278
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0116 0.32 0.282
Giardia lamblia Kinase, TTK 0.0307 1 1
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.0116 0.3176 0.2796
Entamoeba histolytica protein kinase domain containing protein 0.0116 0.32 1
Trichomonas vaginalis AGC family protein kinase 0.0116 0.32 0.2536
Trichomonas vaginalis AGC family protein kinase 0.0116 0.32 0.2536
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0027 0 0.5
Echinococcus multilocularis serine:threonine protein kinase Chk2 0.0042 0.0529 0.0001
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0116 0.32 1
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0116 0.32 0.282
Toxoplasma gondii aurora kinase 0.0116 0.32 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0052 0.0889 0.278
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.0116 0.3176 0.2796
Trypanosoma cruzi aurora B kinase, putative 0.0116 0.32 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0052 0.0889 0.278
Trypanosoma brucei aurora B kinase 0.0116 0.32 1
Loa Loa (eye worm) AUR protein kinase 0.0116 0.32 0.32
Echinococcus granulosus dual specificity serine:threonine tyrosine 0.0307 1 1
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0116 0.32 1
Schistosoma mansoni serine/threonine protein kinase 0.0116 0.32 0.282
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0052 0.0889 0.0889
Echinococcus granulosus aurora kinase A 0.0116 0.32 0.282
Brugia malayi serine/threonine-protein kinase 6 0.0116 0.32 0.32
Entamoeba histolytica protein kinase, putative 0.0116 0.32 1
Trypanosoma brucei polo-like protein kinase 0.0052 0.0889 0.278
Trichomonas vaginalis CAMK family protein kinase 0.0307 1 1
Loa Loa (eye worm) TTK protein kinase 0.0307 1 1
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0116 0.32 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0052 0.0889 0.0889
Brugia malayi serine/threonine kinase 12 0.0116 0.32 0.32
Echinococcus multilocularis dual specificity serine:threonine tyrosine 0.0307 1 1
Loa Loa (eye worm) AUR protein kinase 0.0116 0.32 0.32
Entamoeba histolytica protein kinase, putative 0.0116 0.32 1
Schistosoma mansoni protein kinase 0.0116 0.32 0.282
Leishmania major protein kinase, putative 0.0116 0.32 1
Brugia malayi serine/threonine protein kinase 6 0.0116 0.32 0.32
Schistosoma mansoni dual specificity serine/threonine tyrosine kinase 0.0307 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0889 0.0381
Brugia malayi Cytochrome P450 family protein 0.0056 0.1058 0.1058
Trichomonas vaginalis CAMK family protein kinase 0.0307 1 1
Entamoeba histolytica protein kinase , putative 0.0116 0.32 1

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.

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