Detailed information for compound 2070386

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 328.412 | Formula: C17H24N6O
  • H donors: 2 H acceptors: 3 LogP: 0.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)n[nH]c1C)CN1CCc2c(C1)nc(n2C)C1CC1
  • InChi: 1S/C17H24N6O/c1-10-16(11(2)21-20-10)19-15(24)9-23-7-6-14-13(8-23)18-17(22(14)3)12-4-5-12/h12H,4-9H2,1-3H3,(H,19,24)(H,20,21)
  • InChiKey: RTHXRBRBDVWZSV-UHFFFAOYSA-N  


Substructure search Similarity search

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
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0541 0.2559
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.0541 0.2559
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1801 0.5
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.0541 0.0541
Echinococcus granulosus ubiquitin specific protease 41 0.0045 0.1801 0.2123
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0541 0.0541
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.0541 0.3004
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.0541 0.2559
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.0541 0.3004
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.0541 0.2559
Echinococcus multilocularis musashi 0.0033 0.1048 0.1048
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1801 0.1801
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0541 0.2559
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0108 0.0598
Echinococcus multilocularis lamin 0.0033 0.1048 0.1048
Schistosoma mansoni lamin 0.0033 0.1048 0.0537
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.0541 0.2559
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1801 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.0541 0.3004
Onchocerca volvulus 0.0033 0.1048 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.0541 0.2559
Brugia malayi nuclear hormone receptor 0.0024 0.0541 0.2559
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1801 0.2123
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.8481 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1801 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.0541 0.0541
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.0541 0.2559
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0541 0.2559
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.0541 0.2559
Echinococcus multilocularis ubiquitin specific protease 41 0.0045 0.1801 0.1801
Loa Loa (eye worm) hypothetical protein 0.0033 0.1048 0.5822
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Brugia malayi intermediate filament protein 0.0033 0.1048 0.5557
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.0541 0.2559
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.0541 0.3004
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.0541 0.3004
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.0541 0.2559
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.0541 0.0638
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0045 0.1801 0.1332
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0045 0.1801 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0541 0.0638
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.0541 0.2559
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Echinococcus granulosus intermediate filament protein 0.0033 0.1048 0.1236
Loa Loa (eye worm) hypothetical protein 0.0032 0.1011 0.5616
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.0541 0.0638
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.0541 0.0541
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.8481 0.8481
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.0541 0.2559
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0045 0.1801 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.0541 0.0541
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.0541 0.3004
Loa Loa (eye worm) intermediate filament protein 0.0033 0.1048 0.5822
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.0541 0.0638
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.0541 0.2559
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0045 0.1801 0.1801
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0045 0.1801 0.2123
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.0541 0.0541
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.0541 0.0638
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.1048 0.5557
Brugia malayi ecdysteroid receptor 0.0024 0.0541 0.2559
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.0541 0.0541
Schistosoma mansoni hypothetical protein 0.0152 0.8481 0.8394
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.0541 0.0638
Schistosoma mansoni thyroid hormone receptor 0.0176 1 1
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0045 0.1801 0.5
Brugia malayi steroid hormone receptor 0.0024 0.0541 0.2559
Echinococcus granulosus lamin 0.0033 0.1048 0.1236
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.1801 0.5
Schistosoma mansoni intermediate filament proteins 0.0033 0.1048 0.0537
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0045 0.1801 0.5
Echinococcus granulosus FTZ F1 alpha 0.0024 0.0541 0.0638
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0045 0.1801 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.0541 0.0638
Schistosoma mansoni lamin 0.0033 0.1048 0.0537
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.0541 0.0638
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.1048 0.5822
Schistosoma mansoni thyroid hormone receptor 0.0176 1 1
Brugia malayi nuclear receptor NHR-88 0.0024 0.0541 0.2559
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0045 0.1801 0.5
Echinococcus granulosus lamin dm0 0.0033 0.1048 0.1236
Onchocerca volvulus 0.0033 0.1048 1
Echinococcus multilocularis lamin dm0 0.0033 0.1048 0.1048
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0045 0.1801 0.1332
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.0541 0.3004
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.0541 0.3004
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.0541 0.2559
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.0541 0.0541
Loa Loa (eye worm) hypothetical protein 0.0024 0.0541 0.3004
Loa Loa (eye worm) hypothetical protein 0.0045 0.1801 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.