Detailed information for compound 1610219

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 323.346 | Formula: C18H17N3O3
  • H donors: 2 H acceptors: 3 LogP: 4.14 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(NNc2cc(C)c3c(n2)cccc3)c(c(=O)o1)C(=O)C
  • InChi: 1S/C18H17N3O3/c1-10-8-16(19-14-7-5-4-6-13(10)14)21-20-15-9-11(2)24-18(23)17(15)12(3)22/h4-9,20H,1-3H3,(H,19,21)
  • InChiKey: XQTWNTWKKMFHCZ-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
Echinococcus granulosus mitogen activated protein kinase kinase kinase 0.1287 0.5928 0.6668
Trichomonas vaginalis STE family protein kinase 0.0304 0.0378 1
Brugia malayi Neuronal symmetry protein 1 0.1287 0.5928 0.5768
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0304 0.0378 0.0434
Trichomonas vaginalis conserved hypothetical protein 0.0297 0.0341 0.9037
Trichomonas vaginalis STE family protein kinase 0.0304 0.0378 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0392 0.088 0.5
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0304 0.0378 0.0434
Schistosoma mansoni protein kinase 0.0304 0.0378 0.0637
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.2008 1 1
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0392 0.088 0.5
Trichomonas vaginalis STE family protein kinase 0.0304 0.0378 1
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.1778 0.8701 1
Entamoeba histolytica protein kinase, putative 0.0304 0.0378 1
Giardia lamblia Kinase, STE STE20 0.0304 0.0378 0.5
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.1778 0.8701 1
Entamoeba histolytica p21-activated kinase 0.0304 0.0378 1
Echinococcus multilocularis mitogen activated protein kinase kinase kinase 0.1287 0.5928 0.6813
Schistosoma mansoni protein kinase 0.1287 0.5928 1
Schistosoma mansoni protein kinase 0.1287 0.5928 1
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0304 0.0378 0.0434
Loa Loa (eye worm) hypothetical protein 0.128 0.5891 0.5746
Loa Loa (eye worm) hypothetical protein 0.0386 0.0844 0.052
Loa Loa (eye worm) STE/STE11/ASK protein kinase 0.0392 0.088 0.0558
Schistosoma mansoni protein kinase 0.0304 0.0378 0.0637
Trichomonas vaginalis STE family protein kinase 0.0304 0.0378 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 75 % Analgesic activity in Swiss albino mouse assessed as protection against acetic acid-induced wriths at 50 mg/kg, po administered 30 mins prior acetic acid challenge measured for 10 mins ChEMBL. 22357113

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.