Detailed information for compound 412575

Basic information

Technical information
  • TDR Targets ID: 412575
  • Name: 7-(2,6-dimethylphenyl)-1,2,4-benzotriazin-3-a mine
  • MW: 250.298 | Formula: C15H14N4
  • H donors: 1 H acceptors: 3 LogP: 2.63 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nnc2c(n1)ccc(c2)c1c(C)cccc1C
  • InChi: 1S/C15H14N4/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)18-19-15(16)17-12/h3-8H,1-2H3,(H2,16,17,19)
  • InChiKey: CFKCMVCEHGIRLA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [7-(2,6-dimethylphenyl)-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 References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus tyrosine protein kinase Lyn 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 multilocularis tyrosine protein kinase Fgr 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 granulosus 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
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
Entamoeba histolytica protein kinase, putative 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 Src42A 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
Loa Loa (eye worm) TK protein kinase 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 Blk 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 Proto-oncogene tyrosine-protein kinase FYN, putative 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
Brugia malayi protein-tyrosine kinase 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 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
Schistosoma mansoni tyrosine kinase 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
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
Echinococcus granulosus 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 HCK 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 kinase|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 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 Src64B 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 multilocularis 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 granulosus proto oncogene tyrosine protein kinase LCK 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
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
Brugia malayi 20S proteasome alpha5 subunit 0.0022 0.0461 0.0461
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome subunit beta 1 (T01 family) 0.0022 0.0461 0.0461
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1287 0.1287
Echinococcus granulosus 20S proteasome subunit alpha 6 0.0022 0.0461 0.0461
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0022 0.0461 0.0461
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.097 0.097
Brugia malayi proteasome subunit alpha type 1 0.0022 0.0461 0.0461
Echinococcus granulosus proteasome subunit beta t family 0.0022 0.0461 0.0461
Brugia malayi proteasome subunit alpha type 4 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0022 0.0461 0.0461
Echinococcus granulosus subfamily T1A non peptidase ue 0.0022 0.0461 0.0461
Leishmania major proteasome beta 5 subunit, putative 0.0293 1 1
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0022 0.0461 0.0461
Brugia malayi proteasome subunit alpha type 2 0.0022 0.0461 0.0461
Loa Loa (eye worm) PAS-3 protein 0.0022 0.0461 0.0461
Brugia malayi Proteasome subunit alpha type 1 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome subunit alpha 4 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 0.1287 0.1287
Echinococcus granulosus proteasome prosome macropain subunit beta 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome subunit beta 4 (T01 family) 0.0022 0.0461 0.0461
Brugia malayi Proteasome A-type and B-type family protein 0.0022 0.0461 0.0461
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 0.1287 0.1287
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0293 1 1
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0022 0.0461 0.0461
Echinococcus granulosus proteasome prosome macropain subunit beta type 0.0022 0.0461 0.0461
Echinococcus multilocularis proteasome subunit beta type 7 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1287 0.1287
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0293 1 1
Echinococcus multilocularis subfamily T1A non peptidase ue 0.0022 0.0461 0.0461
Echinococcus granulosus tyrosine kinase 0.0041 0.113 0.113
Loa Loa (eye worm) TK protein kinase 0.0036 0.097 0.097
Loa Loa (eye worm) proteasome subunit alpha type 6 0.0022 0.0461 0.0461
Schistosoma mansoni tyrosine kinase 0.001 0.0045 0.0045
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 0.1287 0.1287
Echinococcus granulosus tyrosine protein kinase Btk29A 0.001 0.0045 0.0045
Brugia malayi Proteasome subunit alpha type 7-1 0.0022 0.0461 0.0461
Schistosoma mansoni tyrosine kinase 0.0045 0.1287 0.1287
Schistosoma mansoni tyrosine kinase 0.001 0.0045 0.0045
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.113 0.113
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 0.1287 0.1287
Schistosoma mansoni proteasome subunit alpha 1 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Abl 0.001 0.0045 0.0045
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1287 0.1287
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0022 0.0461 0.0461
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 0.1287 0.1287
Echinococcus multilocularis proteasome subunit alpha type 2 0.0022 0.0461 0.0461
Echinococcus multilocularis proteasome subunit alpha type 6 0.0022 0.0461 0.0461
Brugia malayi proteasome subunit alpha type 6 0.0022 0.0461 0.0461
Echinococcus multilocularis Proteasome, subunit alpha beta 0.0022 0.0461 0.0461
Brugia malayi proteasome subunit beta type 3 0.0022 0.0461 0.0461
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0022 0.0461 0.0461
Loa Loa (eye worm) proteasome subunit alpha type 7-1 0.0022 0.0461 0.0461
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0293 1 1
Loa Loa (eye worm) proteasome subunit beta type 1 0.0022 0.0461 0.0461
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0293 1 1
Brugia malayi Tyrosine-protein kinase abl-1 0.001 0.0045 0.0045
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0293 1 1
Echinococcus granulosus proteasome subunit beta type 7 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0022 0.0461 0.0461
Loa Loa (eye worm) 20S proteasome alpha5 subunit 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.113 0.113
Echinococcus multilocularis proteasome (prosome macropain) subunit alpha 0.0022 0.0461 0.0461
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 0.1287 0.1287
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.113 0.113
Echinococcus granulosus proteasome subunit alpha type 6 0.0022 0.0461 0.0461
Wolbachia endosymbiont of Brugia malayi ATP-dependent protease peptidase subunit 0.0022 0.0461 0.5
Loa Loa (eye worm) SRC-1 0.0045 0.1287 0.1287
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 0.1287 0.1287
Plasmodium vivax proteasome subunit beta type-5, putative 0.0293 1 1
Schistosoma mansoni proteasome subunit alpha 2 (T01 family) 0.0022 0.0461 0.0461
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.001 0.0045 0.0045
Schistosoma mansoni tyrosine kinase 0.0045 0.1287 0.1287
Brugia malayi proteasome subunit beta type 2 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome subunit beta 3 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0022 0.0461 0.0461
Echinococcus granulosus proteasome subunit alpha type 2 0.0022 0.0461 0.0461
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0293 1 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.097 0.097
Echinococcus multilocularis proteasome subunit beta type 6 0.0022 0.0461 0.0461
Echinococcus granulosus proteasome prosome macropain subunit alpha 0.0022 0.0461 0.0461
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 0.1287 0.1287
Schistosoma mansoni proteasome subunit alpha 6 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis 20S proteasome subunit alpha 6 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.113 0.113
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1287 0.1287
Brugia malayi Proteasome A-type and B-type family protein 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.001 0.0045 0.0045
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.1085 0.1085
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0293 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.1085 0.1085
Echinococcus multilocularis Proteasome subunit alpha type 7 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 0.1287 0.1287
Loa Loa (eye worm) proteasome subunit alpha type 1 0.0022 0.0461 0.0461
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0022 0.0461 0.0461
Plasmodium falciparum proteasome subunit beta type-5 0.0293 1 1
Loa Loa (eye worm) proteasome subunit alpha type 3 0.0022 0.0461 0.0461
Echinococcus granulosus Proteasome subunit alpha beta 0.0022 0.0461 0.0461
Entamoeba histolytica protein kinase, putative 0.0036 0.097 0.0534
Schistosoma mansoni proteasome subunit alpha 3 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis proteasome (prosome macropain) subunit beta type 0.0022 0.0461 0.0461
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0293 1 1
Echinococcus granulosus proteasome prosome macropain 0.0293 1 1
Onchocerca volvulus Notchless protein homolog 0.0022 0.0461 0.5
Toxoplasma gondii proteasome subunit beta type, putative 0.0293 1 1
Brugia malayi Proteasome A-type and B-type family protein 0.0022 0.0461 0.0461
Echinococcus multilocularis c src tyrosine kinase 0.001 0.0045 0.0045
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0293 1 1
Echinococcus granulosus Proteasome subunit alpha type 7 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome subunit alpha 7 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta 0.0022 0.0461 0.0461
Brugia malayi proteasome subunit beta type 1 0.0022 0.0461 0.0461
Echinococcus granulosus proteasome subunit beta type 6 0.0022 0.0461 0.0461
Brugia malayi SRC-1 0.0045 0.1287 0.1287
Brugia malayi protein-tyrosine kinase 0.0041 0.113 0.113
Loa Loa (eye worm) proteasome subunit alpha type 2 0.0022 0.0461 0.0461
Echinococcus granulosus c src tyrosine kinase 0.001 0.0045 0.0045
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0022 0.0461 0.0461
Schistosoma mansoni proteasome catalytic subunit 1 (T01 family) 0.0022 0.0461 0.0461
Schistosoma mansoni subfamily T1A non-peptidase homologue (T01 family) 0.0022 0.0461 0.0461
Loa Loa (eye worm) proteasome subunit beta type 3 0.0022 0.0461 0.0461
Mycobacterium ulcerans proteasome PrcB 0.0293 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 0.1287 0.1287
Echinococcus multilocularis proteasome (prosome, macropain) subunit, beta 0.0022 0.0461 0.0461
Loa Loa (eye worm) proteasome subunit beta type 2 0.0022 0.0461 0.0461
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0293 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 0.1287 0.1287
Schistosoma mansoni proteasome subunit beta 2 (T01 family) 0.0022 0.0461 0.0461
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 0.1287 0.1287
Echinococcus multilocularis proteasome (prosome, macropain) 0.0293 1 1
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 0.1287 0.1287
Loa Loa (eye worm) TK protein kinase 0.0041 0.113 0.113
Brugia malayi proteasome subunit alpha type 3 0.0022 0.0461 0.0461
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.113 0.113

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.2 uM Inhibition of human recombinant Src kinase ChEMBL. 16931012
IC50 (binding) = 2.2 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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