Detailed information for compound 412578

Basic information

Technical information
  • TDR Targets ID: 412578
  • Name: N-(2,4-dimethylphenyl)-7-(2,6-dimethylphenyl) -5-methyl-1,2,4-benzotriazin-3-amine
  • MW: 368.474 | Formula: C24H24N4
  • H donors: 1 H acceptors: 3 LogP: 5.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)Nc1nnc2c(n1)c(C)cc(c2)c1c(C)cccc1C
  • InChi: 1S/C24H24N4/c1-14-9-10-20(17(4)11-14)25-24-26-23-18(5)12-19(13-21(23)27-28-24)22-15(2)7-6-8-16(22)3/h6-13H,1-5H3,(H,25,26,28)
  • InChiKey: RLGFIENPFFPLBF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2,4-dimethylphenyl)-[7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]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 multilocularis tyrosine protein kinase Fyn 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
Schistosoma mansoni 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
Brugia malayi SRC-1 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
Entamoeba histolytica protein kinase, putative 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
Loa Loa (eye worm) TK protein kinase 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
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 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 lyn tyrosine protein kinase blk Get druggable targets OG5_127750 All targets in OG5_127750
Schistosoma mansoni tyrosine kinase 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 multilocularis tyrosine protein kinase Blk 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 multilocularis tyrosine protein kinase Srms 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 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
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FGR, putative 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
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
Echinococcus granulosus tyrosine protein kinase HCK 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
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
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
Brugia malayi protein-tyrosine kinase 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 granulosus tyrosine kinase 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 Src42A 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 tyrosine protein kinase HCK 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 FYN, putative 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
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0144 1 1
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.203 0.203
Echinococcus granulosus proteasome subunit alpha type 2 0.0011 0.0141 0.0141
Brugia malayi proteasome subunit alpha type 3 0.0011 0.0141 0.0141
Schistosoma mansoni tyrosine kinase 0.0045 0.2693 0.2693
Brugia malayi Proteasome A-type and B-type family protein 0.0011 0.0141 0.0141
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0011 0.0141 0.0141
Echinococcus multilocularis proteasome subunit beta type 7 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.2366 0.2366
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.2272 0.2272
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0011 0.0141 0.0141
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0094 0.0094
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0011 0.0141 0.0141
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.2693 0.2693
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0011 0.0141 0.5
Loa Loa (eye worm) TK protein kinase 0.0036 0.203 0.203
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0011 0.0141 0.0141
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.2366 0.2366
Brugia malayi proteasome subunit alpha type 1 0.0011 0.0141 0.0141
Schistosoma mansoni tyrosine kinase 0.001 0.0094 0.0094
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0144 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.2693 0.2693
Echinococcus multilocularis proteasome subunit alpha type 6 0.0011 0.0141 0.0141
Onchocerca volvulus Notchless protein homolog 0.0011 0.0141 0.5
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.2693 0.2693
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.2693 0.2693
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0011 0.0141 0.0141
Echinococcus granulosus proteasome subunit alpha type 6 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.2693 0.2693
Echinococcus granulosus proteasome prosome macropain 0.0144 1 1
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0011 0.0141 0.0141
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0011 0.0141 0.0141
Toxoplasma gondii proteasome subunit beta type, putative 0.0144 1 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.2693 0.2693
Brugia malayi Proteasome A-type and B-type family protein 0.0011 0.0141 0.0141
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2693 0.2693
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.2693 0.2693
Loa Loa (eye worm) PAS-3 protein 0.0011 0.0141 0.0141
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.2366 0.2366
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0144 1 1
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0011 0.0141 0.0141
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0094 0.0094
Entamoeba histolytica protein kinase, putative 0.0036 0.203 0.1916
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0144 1 1
Echinococcus granulosus Proteasome subunit alpha beta 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2693 0.2693
Brugia malayi proteasome subunit beta type 1 0.0011 0.0141 0.0141
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.2693 0.2693
Brugia malayi Proteasome subunit alpha type 7-1 0.0011 0.0141 0.0141
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0011 0.0141 0.0141
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0011 0.0141 0.0141
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.2366 0.2366
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0011 0.0141 0.0141
Loa Loa (eye worm) TK protein kinase 0.0041 0.2366 0.2366
Brugia malayi proteasome subunit alpha type 4 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0011 0.0141 0.0141
Brugia malayi protein-tyrosine kinase 0.0041 0.2366 0.2366
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0011 0.0141 0.0141
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0094 0.0094
Echinococcus granulosus subfamily T1A non peptidase ue 0.0011 0.0141 0.0141
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0144 1 1
Brugia malayi proteasome subunit alpha type 2 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.2693 0.2693
Echinococcus multilocularis proteasome subunit beta type 6 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.2693 0.2693
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0094 0.0094
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.203 0.203
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0011 0.0141 0.0141
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0144 1 1
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.2366 0.2366
Echinococcus multilocularis proteasome (prosome, macropain) 0.0144 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0011 0.0141 0.0141
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0144 1 1
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0011 0.0141 0.0141
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0144 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.2693 0.2693
Loa Loa (eye worm) proteasome subunit beta type 3 0.0011 0.0141 0.0141
Echinococcus granulosus Proteasome subunit alpha type 7 0.0011 0.0141 0.0141
Brugia malayi Proteasome subunit alpha type 1 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.2272 0.2272
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0011 0.0141 0.0141
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0011 0.0141 0.0141
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0011 0.0141 0.0141
Echinococcus granulosus proteasome subunit beta type 6 0.0011 0.0141 0.0141
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0011 0.0141 0.0141
Brugia malayi proteasome subunit alpha type 6 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.2693 0.2693
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0011 0.0141 0.0141
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0011 0.0141 0.0141
Schistosoma mansoni tyrosine kinase 0.001 0.0094 0.0094
Brugia malayi proteasome subunit beta type 3 0.0011 0.0141 0.0141
Echinococcus granulosus c src tyrosine kinase 0.001 0.0094 0.0094
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.2693 0.2693
Brugia malayi Proteasome A-type and B-type family protein 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis proteasome subunit alpha type 2 0.0011 0.0141 0.0141
Mycobacterium ulcerans proteasome PrcB 0.0144 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.2693 0.2693
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0011 0.0141 0.0141
Leishmania major proteasome beta 5 subunit, putative 0.0144 1 1
Echinococcus granulosus tyrosine kinase 0.0041 0.2366 0.2366
Schistosoma mansoni tyrosine kinase 0.0045 0.2693 0.2693
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.2693 0.2693
Loa Loa (eye worm) proteasome subunit beta type 2 0.0011 0.0141 0.0141
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0011 0.0141 0.0141
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0094 0.0094
Loa Loa (eye worm) SRC-1 0.0045 0.2693 0.2693
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0011 0.0141 0.0141
Plasmodium vivax proteasome subunit beta type-5, putative 0.0144 1 1
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0144 1 1
Brugia malayi SRC-1 0.0045 0.2693 0.2693
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0011 0.0141 0.0141
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0011 0.0141 0.0141
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0011 0.0141 0.0141
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0094 0.0094
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0011 0.0141 0.0141
Brugia malayi 20S proteasome alpha5 subunit 0.0011 0.0141 0.0141
Loa Loa (eye worm) proteasome subunit beta type 1 0.0011 0.0141 0.0141
Echinococcus granulosus proteasome subunit beta t family 0.0011 0.0141 0.0141
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0144 1 1
Echinococcus granulosus proteasome subunit beta type 7 0.0011 0.0141 0.0141
Brugia malayi proteasome subunit beta type 2 0.0011 0.0141 0.0141
Plasmodium falciparum proteasome subunit beta type-5 0.0144 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.

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