Detailed information for compound 2146729

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 284.127 | Formula: C15H16N4O2
  • H donors: 3 H acceptors: 4 LogP: 1.97 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 0
  • SMILES: OC1CCCN(C1)c1ncnc2c1c1cc(O)ccc1[nH]2
  • InChi: InChI=1S/C15H16N4O2/c20-9-3-4-12-11(6-9)13-14(18-12)16-8-17-15(13)19-5-1-2-10(21)7-19/h3-4,6,8,10,20-21H,1-2,5,7H2,(H,16,17,18)
  • InChiKey: FLCPZKFTJWIVSA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase kinase 7 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis dual specificity mitogen activated protein Get druggable targets OG5_133887 All targets in OG5_133887
Brugia malayi Dual specificity mitogen-activated protein kinase kinase 7. -TRUNCATED- Get druggable targets OG5_133887 All targets in OG5_133887
Schistosoma mansoni protein kinase Get druggable targets OG5_133887 All targets in OG5_133887
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase Get druggable targets OG5_133887 All targets in OG5_133887
Schistosoma japonicum IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_133887 All targets in OG5_133887
Schistosoma japonicum Dual specificity mitogen-activated protein kinase kinase 7, putative Get druggable targets OG5_133887 All targets in OG5_133887
Schistosoma japonicum ko:K04431 mitogen-activated protein kinase kinase 7, putative Get druggable targets OG5_133887 All targets in OG5_133887
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase Get druggable targets OG5_133887 All targets in OG5_133887
Echinococcus granulosus dual specificity mitogen activated protein Get druggable targets OG5_133887 All targets in OG5_133887
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 dual specificity mitogen activated protein 0.0149 0.5 0.5
Echinococcus granulosus dual specificity mitogen activated protein 0.0149 0.5 0.5
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.0149 0.5 0.5
Schistosoma mansoni protein kinase 0.0149 0.5 0.5
Loa Loa (eye worm) STE/STE7/MEK7 protein kinase 0.0149 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) < 1 uM Inhibition of GST-tagged human MKK7 expressed in Escherichia coli (BL21(DE3) pLysS) co-expressing human MEKK catalytic domain using biotinylated and GST-tagged rat GST-KN-SAPKalpha substrate incubated for 1 hr by time-resolved fluorescence based assay PATENT. No reference
Inhibition (functional) Inhibition of anti-CD3 antibody-induced IFNgamma production in Balb/c mouse dosed intravenously 5 mins before anti-CD3 antibody injection and measured 2 hrs post-challenge by ELISA PATENT. No reference
Inhibition (functional) Inhibition of anti-CD3 antibody-induced IL2 production in Balb/c mouse dosed intravenously 5 mins before anti-CD3 antibody injection and measured 2 hrs post-challenge by ELISA PATENT. No reference
Inhibition (functional) Inhibition of anti-CD3 antibody-induced IL4 production in Balb/c mouse dosed intravenously 5 mins before anti-CD3 antibody injection and measured 2 hrs post-challenge by ELISA PATENT. 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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