Detailed information for compound 413210

Basic information

Technical information
  • TDR Targets ID: 413210
  • Name: 7-(2,6-dimethylphenyl)-5-methyl-N-quinolin-8- yl-1,2,4-benzotriazin-3-amine
  • MW: 391.468 | Formula: C25H21N5
  • H donors: 1 H acceptors: 4 LogP: 5.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1c1cc(C)c2c(c1)nnc(n2)Nc1cccc2c1nccc2)C
  • InChi: 1S/C25H21N5/c1-15-7-4-8-16(2)22(15)19-13-17(3)23-21(14-19)29-30-25(28-23)27-20-11-5-9-18-10-6-12-26-24(18)20/h4-14H,1-3H3,(H,27,28,30)
  • InChiKey: LFMFJLGPMLEFQW-UHFFFAOYSA-N  

Network

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Synonyms

  • 7-(2,6-dimethylphenyl)-5-methyl-N-(8-quinolyl)-1,2,4-benzotriazin-3-amine
  • [7-(2,6-dimethylphenyl)-5-methyl-1,2,4-benzotriazin-3-yl]-(8-quinolyl)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 Src42A 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 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
Echinococcus multilocularis tyrosine protein kinase Src42A 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 granulosus tyrosine protein kinase Fyn 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 Fyn 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 Fgr 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 Proto-oncogene tyrosine-protein kinase Yrk, 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 kinase|tyrosine protein kinase Fyn 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 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
Echinococcus multilocularis tyrosine protein kinase Fyn 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 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
Echinococcus multilocularis tyrosine protein kinase HCK 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 Proto-oncogene tyrosine-protein kinase FGR, 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 proto oncogene tyrosine protein kinase LCK 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
Brugia malayi protein-tyrosine kinase 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 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
Loa Loa (eye worm) TK protein 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
Schistosoma japonicum Proto-oncogene tyrosine-protein kinase FYN, 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
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 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 Src64B 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

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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.4923 0.4923
Schistosoma mansoni coup transcription factor 0.0029 0.4923 0.4923
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0527 0.0527
Brugia malayi hypothetical protein 0.0016 0.0666 0.0666
Schistosoma mansoni thyroid hormone receptor 0.0029 0.4923 0.4923
Brugia malayi steroid hormone receptor 0.0029 0.4923 0.4923
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0027 0.4177 1
Schistosoma mansoni thyroid hormone receptor 0.0029 0.4923 0.4923
Echinococcus multilocularis FTZ F1 alpha 0.0029 0.4923 0.4923
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0.4923 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.4923 0.4923
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.4923 0.4923
Brugia malayi nuclear receptor NHR-88 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Srms 0.0041 0.8596 0.8596
Giardia lamblia Rrm3p helicase 0.0027 0.4177 0.5
Entamoeba histolytica protein kinase, putative 0.0036 0.7157 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0527 0.0527
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.4923 0.4923
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.4923 0.4923
Echinococcus granulosus tyrosine protein kinase Src64B 0.0045 1 1
Brugia malayi ecdysteroid receptor 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.4923 0.4923
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.4923 0.4923
Echinococcus granulosus tyrosine protein kinase HCK 0.0036 0.7157 0.7157
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.4923 0.4923
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.4923 0.4923
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0029 0.4923 0.4923
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.4923 0.4923
Loa Loa (eye worm) hypothetical protein 0.0016 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.4923 0.4923
Loa Loa (eye worm) TK protein kinase 0.0041 0.8596 0.8596
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0027 0.4177 0.4177
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0029 0.4923 0.4923
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0027 0.4177 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.4923 0.4923
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0045 1 1
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0045 1 1
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Src42A 0.004 0.8192 0.8192
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0527 0.0527
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.9833 0.9833
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.4177 1
Schistosoma mansoni nuclear hormone receptor 0.0029 0.4923 0.4923
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0045 1 1
Echinococcus granulosus FTZ F1 alpha 0.0029 0.4923 0.4923
Brugia malayi hypothetical protein 0.0016 0.0527 0.0527
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.4923 0.4923
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.4923 0.4923
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0045 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.9833 0.9833
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0045 1 1
Onchocerca volvulus 0.0029 0.4923 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.4923 0.4923
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0029 0.4923 0.4923
Loa Loa (eye worm) SRC-1 0.0045 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0527 0.0527
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0527 0.0527
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.4923 0.4923
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0527 0.0527
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.9833 0.9833
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.4923 0.4923
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.4177 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.004 0.8192 0.8192
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.3445 0.5
Echinococcus granulosus tyrosine kinase 0.0041 0.8596 0.8596
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0045 1 1
Echinococcus granulosus tyrosine protein kinase Blk 0.0041 0.8596 0.8596
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0027 0.4177 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.9833 0.9833
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.0027 0.4177 0.4177
Loa Loa (eye worm) hypothetical protein 0.0016 0.0527 0.0527
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.4923 0.4923
Onchocerca volvulus Bile acid receptor homolog 0.0029 0.4923 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.4923 0.4923
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0027 0.4177 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.3445 0.5
Brugia malayi protein-tyrosine kinase 0.0041 0.8596 0.8596
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.4923 0.4923
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0029 0.4923 0.4923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.4923 0.4923
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0527 0.0527
Brugia malayi nuclear receptor RXR 0.0016 0.0527 0.0527
Brugia malayi hypothetical protein 0.0016 0.0527 0.0527
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0527 0.0527
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.4177 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.4923 0.4923
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.9833 0.9833
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0027 0.4177 1
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.3445 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0527 0.0527
Brugia malayi hypothetical protein 0.0025 0.3445 0.3445
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.4923 0.4923
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.3445 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.4923 0.4923
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Blk 0.0041 0.8596 0.8596
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.9833 0.9833
Schistosoma mansoni hypothetical protein 0.0027 0.4177 0.4177
Echinococcus multilocularis tyrosine protein kinase HCK 0.0036 0.7157 0.7157
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0041 0.8596 0.8596
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.9833 0.9833
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.9833 0.9833
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.4923 0.4923
Loa Loa (eye worm) hypothetical protein 0.0029 0.4923 0.4923
Echinococcus granulosus tyrosine protein kinase Lyn 0.0045 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.3445 0.3445
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.4923 0.4923
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0.4923 1
Brugia malayi nuclear hormone receptor 0.0029 0.4923 0.4923
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.4923 0.4923
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.9833 0.9833
Loa Loa (eye worm) TK protein kinase 0.0036 0.7157 0.7157
Loa Loa (eye worm) hypothetical protein 0.0016 0.0527 0.0527
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.4923 0.4923
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0045 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.4923 0.4923
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0.4923 0.4923
Schistosoma mansoni tyrosine kinase 0.0045 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.4923 0.4923
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.4923 0.4923
Schistosoma mansoni tyrosine kinase 0.0045 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0045 1 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0045 1 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0045 1 1
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.8596 0.8596
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.4923 0.4923
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.4923 0.4923
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.4923 0.4923

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 10000 nM Luciferase-Based Assay BINDINGDB. No 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) > 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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