Detailed information for compound 920268

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 321.333 | Formula: C17H15N5O2
  • H donors: 3 H acceptors: 3 LogP: 2.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1[nH]c2c(c1)cc(cn2)NCc1cnc2c(c1)cc[nH]2
  • InChi: 1S/C17H15N5O2/c1-24-17(23)14-6-12-5-13(9-21-16(12)22-14)19-7-10-4-11-2-3-18-15(11)20-8-10/h2-6,8-9,19H,7H2,1H3,(H,18,20)(H,21,22)
  • InChiKey: GIKOLBWSCQNXAE-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 ABL proto-oncogene 1, non-receptor tyrosine kinase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131234 All targets in OG5_131234
Loa Loa (eye worm) TK/ABL protein kinase Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus granulosus tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Brugia malayi Tyrosine-protein kinase abl-1 Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase Abl Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum expressed protein Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum Tyrosine-protein kinase transforming protein Abl, putative Get druggable targets OG5_131234 All targets in OG5_131234
Echinococcus multilocularis tyrosine protein kinase ABL1 Get druggable targets OG5_131234 All targets in OG5_131234
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase ABL1, putative Get druggable targets OG5_131234 All targets in OG5_131234
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 proto oncogene tyrosine protein kinase LCK 0.0008 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0031 0.0031
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0008 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0254 0.7587 0.7587
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0031 0.0031
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0008 0.0031 0.0031
Schistosoma mansoni fructose-16-bisphosphatase-related 0.0332 1 1
Loa Loa (eye worm) TK/ABL protein kinase 0.0254 0.7587 0.7587
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0008 0.0031 0.0031
Echinococcus granulosus fructose 16 bisphosphatase 1 0.0332 1 1
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0332 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0008 0.0031 0.0031
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.0332 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0008 0.0031 0.0031
Leishmania major 0.0332 1 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0008 0.0031 0.0031
Brugia malayi Tyrosine-protein kinase abl-1 0.0154 0.4513 0.4513
Schistosoma mansoni tyrosine kinase 0.0008 0.0031 0.0031
Brugia malayi Tyrosine-protein kinase abl-1 0.0103 0.2962 0.2962
Schistosoma mansoni tyrosine kinase 0.0008 0.0031 0.0031
Echinococcus granulosus tyrosine protein kinase Src64B 0.0008 0.0031 0.0031
Echinococcus granulosus tyrosine protein kinase Src42A 0.0008 0.0031 0.0031
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.0332 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0008 0.0031 0.0031
Brugia malayi SRC-1 0.0008 0.0031 0.0031
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0008 0.0031 0.0031
Echinococcus granulosus tyrosine protein kinase Fyn 0.0008 0.0031 0.0031
Echinococcus granulosus c src tyrosine kinase 0.0008 0.0031 0.0031
Trypanosoma brucei fructose-1,6-bisphosphatase 0.0332 1 1
Echinococcus multilocularis c src tyrosine kinase 0.0008 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0008 0.0031 0.0031
Loa Loa (eye worm) SRC-1 0.0008 0.0031 0.0031
Schistosoma mansoni tyrosine kinase 0.025 0.7475 0.7475
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0008 0.0031 0.0031
Echinococcus granulosus tyrosine protein kinase ABL1 0.0254 0.7587 0.7587
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0008 0.0031 0.0031
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0008 0.0031 0.0031
Toxoplasma gondii fructose-bisphospatase II 0.0332 1 1
Echinococcus multilocularis tyrosine protein kinase Abl 0.0103 0.2962 0.2962
Schistosoma mansoni tyrosine kinase 0.0008 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0096 0.2741 0.2741
Schistosoma mansoni tyrosine kinase 0.0008 0.0031 0.0031
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.0332 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of Src kinase (unknown origin) ChEMBL. No reference
IC50 (binding) = 136 nM Inhibition of Abl kinase (unknown origin) ChEMBL. No reference
Inhibition (binding) = 49 % Inhibition of Src kinase (unknown origin) at 10 uM ChEMBL. No reference
Inhibition (binding) = 95 % Inhibition of Abl kinase (unknown origin) at 10 uM 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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