Detailed information for compound 412320

Basic information

Technical information
  • TDR Targets ID: 412320
  • Name: 7-(2,6-dimethylphenyl)-N-(2-methoxyphenyl)-5- methyl-1,2,4-benzotriazin-3-amine
  • MW: 370.447 | Formula: C23H22N4O
  • H donors: 1 H acceptors: 3 LogP: 5.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1Nc1nnc2c(n1)c(C)cc(c2)c1c(C)cccc1C
  • InChi: 1S/C23H22N4O/c1-14-8-7-9-15(2)21(14)17-12-16(3)22-19(13-17)26-27-23(25-22)24-18-10-5-6-11-20(18)28-4/h5-13H,1-4H3,(H,24,25,27)
  • InChiKey: KDWPMSHIURZDIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]-(2-methoxyphenyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SRC proto-oncogene, 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
Echinococcus granulosus tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src64B Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase Yrk, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Srms Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, putative Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) SRC-1 Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum ko:K08892 fyn-related kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Brugia malayi protein-tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Entamoeba histolytica protein kinase, putative Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase HCK Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Lyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fyn Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Src42A Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine protein kinase Blk Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus multilocularis tyrosine protein kinase Fgr Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative Get druggable targets OG5_127750 All targets in OG5_127750
Echinococcus granulosus tyrosine kinase Get druggable targets OG5_127750 All targets in OG5_127750
Loa Loa (eye worm) TK protein kinase Get druggable targets OG5_127750 All targets in OG5_127750
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 tyrosine protein kinase Fyn 0.0045 0.1036 0.1026
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.0912 0.0901
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0048 0.0036
Entamoeba histolytica protein kinase, putative 0.0036 0.0784 0.5
Echinococcus multilocularis high affinity choline transporter 1 0.0093 0.2373 0.2364
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.0876 0.0865
Echinococcus multilocularis sodium:glucose cotransporter 2 0.0365 1 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.1036 0.1026
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.0784 0.0773
Schistosoma mansoni tyrosine kinase 0.0045 0.1036 0.1026
Loa Loa (eye worm) hypothetical protein 0.0093 0.2373 1
Toxoplasma gondii transporter, solute:sodium symporter (SSS) family protein 0.0093 0.2373 0.5
Onchocerca volvulus 0.0093 0.2373 0.5
Schistosoma mansoni tyrosine kinase 0.001 0.0048 0.0036
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.1036 0.1026
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0009 0.0012 0.005
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.0912 0.0901
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0048 0.0152
Leishmania major cytochrome p450-like protein 0.0015 0.0194 0.5
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.1036 0.1026
Schistosoma mansoni tyrosine kinase 0.0045 0.1036 0.1026
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1036 0.1026
Echinococcus granulosus sodium:myo inositol cotransporter 0.0365 1 1
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0048 0.0036
Brugia malayi protein-tyrosine kinase 0.0041 0.0912 0.3812
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.1036 0.1026
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0912 0.0901
Echinococcus multilocularis solute carrier family 5 0.0365 1 1
Trypanosoma brucei cytochrome P450, putative 0.0015 0.0194 0.5
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.1036 0.1026
Brugia malayi GH02984p 0.0093 0.2373 1
Echinococcus granulosus high affinity choline transporter 1 0.0093 0.2373 0.2364
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.0876 0.0865
Brugia malayi Sodium:solute symporter family protein 0.0093 0.2373 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1036 0.1026
Echinococcus granulosus solute carrier family 5 0.0365 1 1
Loa Loa (eye worm) TK protein kinase 0.0036 0.0784 0.3305
Echinococcus granulosus sodium:glucose cotransporter 2 0.0365 1 1
Schistosoma mansoni inositol transporter 0.0365 1 1
Brugia malayi Cytochrome P450 family protein 0.0015 0.0194 0.0772
Schistosoma mansoni tyrosine kinase 0.001 0.0048 0.0036
Loa Loa (eye worm) hypothetical protein 0.0093 0.2373 1
Brugia malayi SRC-1 0.0045 0.1036 0.4339
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0194 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1036 0.1026
Loa Loa (eye worm) hypothetical protein 0.0009 0.0012 0.005
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0048 0.0036
Loa Loa (eye worm) SRC-1 0.0045 0.1036 0.4367
Schistosoma mansoni high-affinity choline transporter 0.0093 0.2373 0.2364
Echinococcus granulosus tyrosine kinase 0.0041 0.0912 0.0901
Echinococcus granulosus c src tyrosine kinase 0.001 0.0048 0.0036
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0048 0.0036
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0477 0.201
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1036 0.1026
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0015 0.0194 0.5
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.1036 0.1026
Echinococcus multilocularis sodium:myo inositol cotransporter 0.0365 1 1
Loa Loa (eye worm) CYP4Cod1 0.0015 0.0194 0.0818
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.0784 0.0773
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.1036 0.1026
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.1036 0.1026
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.1036 0.1026
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.1036 0.1026
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0009 0.0012 0.005
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.0912 0.0901
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0194 0.0818
Echinococcus granulosus sodium coupled monocarboxylate transporter 1 0.0093 0.2373 0.2364
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.1036 0.1026
Loa Loa (eye worm) TK protein kinase 0.0041 0.0912 0.3842
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0048 0.0036
Echinococcus multilocularis sodium coupled monocarboxylate transporter 1 0.0093 0.2373 0.2364
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.0912 0.0901
Loa Loa (eye worm) cytochrome P450 family protein 0.0015 0.0194 0.0818
Schistosoma mansoni sodium/solute symporter 0.0093 0.2373 0.2364
Brugia malayi Cytochrome P450 family protein 0.0015 0.0194 0.0772
Trypanosoma cruzi cytochrome P450, putative 0.0015 0.0194 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1036 0.1026
Brugia malayi Cytochrome P450 family protein 0.0026 0.0477 0.197
Schistosoma mansoni inositol transporter 0.0365 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins by luciferase-based assay PATENT. No reference
IC50 (binding) > 10000 nM Luciferase-Based Assay BINDINGDB. No reference
IC50 (binding) > 50 uM Inhibition of human recombinant Src kinase ChEMBL. 16931012
IC50 (binding) > 50 uM Inhibition of human recombinant Src kinase ChEMBL. 16931012

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

1 literature reference was collected for this gene.

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