Detailed information for compound 215866

Basic information

Technical information
  • TDR Targets ID: 215866
  • Name: 4-N-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]p yrimidine-4,7-diamine
  • MW: 305.258 | Formula: C14H10F3N5
  • H donors: 2 H acceptors: 3 LogP: 2.88 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ncc2c(c1)ncnc2Nc1ccc(cc1)C(F)(F)F
  • InChi: 1S/C14H10F3N5/c15-14(16,17)8-1-3-9(4-2-8)22-13-10-6-19-12(18)5-11(10)20-7-21-13/h1-7H,(H2,18,19)(H,20,21,22)
  • InChiKey: NDNQFBSGWVDUBN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N4-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidine-4,7-diamine
  • (7-aminopyrido[4,3-d]pyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]amine
  • N-[4-(trifluoromethyl)phenyl]pyrido[5,4-e]pyrimidine-4,7-diamine
  • (7-aminopyrido[5,4-e]pyrimidin-4-yl)-[4-(trifluoromethyl)phenyl]amine
  • 7-Aminopyrido[4,3-d]pyrimidine 7j

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epidermal growth factor receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Tyrosine-protein kinase transforming protein erbB, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus multilocularis epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-4 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Receptor tyrosine-protein kinase erbB-2 precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein Get druggable targets OG5_128597 All targets in OG5_128597
Loa Loa (eye worm) TK/EGFR protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma mansoni tyrosine kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum IPR000494,EGF receptor, L domain,domain-containing Get druggable targets OG5_128597 All targets in OG5_128597
Echinococcus granulosus epidermal growth factor receptor Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, putative Get druggable targets OG5_128597 All targets in OG5_128597
Brugia malayi Furin-like cysteine rich region family protein Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein Get druggable targets OG5_128597 All targets in OG5_128597
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
Schistosoma mansoni tyrosine kinase 0.0096 0.3891 0.3117
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0131 0.6413 0.5
Schistosoma mansoni tyrosine kinase 0.0097 0.3965 0.32
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 1 1
Echinococcus granulosus histone deacetylase 6 0.0139 0.6988 0.6606
Schistosoma mansoni histone deacetylase 4 5 0.0139 0.6988 0.6606
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0131 0.6413 0.5
Echinococcus multilocularis histone deacetylase 0.0139 0.6988 0.6655
Echinococcus multilocularis histone deacetylase 6 0.0139 0.6988 0.6655
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.5539 0.4973
Schistosoma mansoni tyrosine kinase 0.0096 0.3891 0.3117
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.1125 0.0145
Plasmodium vivax histone deacetylase 2, putative 0.0139 0.6988 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0131 0.6413 0.5958
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0131 0.6413 0.6016
Trypanosoma brucei histone deacetylase, putative 0.0139 0.6988 1
Trypanosoma brucei histone deacetylase 4 0.0139 0.6988 1
Loa Loa (eye worm) histone deacetylase 7A 0.0139 0.6988 0.6606
Echinococcus granulosus histone deacetylase 6 0.0139 0.6988 0.6606
Trypanosoma cruzi histone deacetylase, putative 0.0139 0.6988 1
Brugia malayi Histone deacetylase family protein 0.0139 0.6988 0.6606
Brugia malayi Histone deacetylase family protein 0.0139 0.6988 0.6606
Loa Loa (eye worm) hypothetical protein 0.0139 0.6988 0.6606
Leishmania major histone deacetylase, putative 0.0139 0.6988 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0131 0.6413 0.5958
Echinococcus multilocularis histone deacetylase 6 0.0139 0.6988 0.6655
Schistosoma mansoni tyrosine kinase 0.018 1 1
Schistosoma mansoni tyrosine kinase 0.0097 0.3965 0.32
Echinococcus multilocularis histone deacetylase 6 0.0139 0.6988 0.6655
Echinococcus multilocularis histone deacetylase 7 0.0139 0.6988 0.6655
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0131 0.6413 0.5958
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.3965 0.32
Brugia malayi MH2 domain containing protein 0.0118 0.5539 0.4973
Toxoplasma gondii histone deacetylase HDAC1 0.0139 0.6988 1
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.3965 0.3299
Trypanosoma cruzi histone deacetylase, putative 0.0139 0.6988 1
Echinococcus granulosus histone deacetylase 6 0.0139 0.6988 0.6606
Echinococcus granulosus histone deacetylase 7 0.0139 0.6988 0.6606
Plasmodium falciparum histone deacetylase, putative 0.0139 0.6988 1
Leishmania major histone deacetylase, putative 0.0139 0.6988 1
Echinococcus multilocularis epidermal growth factor receptor 0.018 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.5539 0.4973
Loa Loa (eye worm) histone deacetylase 0.0139 0.6988 0.6606
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0131 0.6413 0.5958
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.3965 0.32
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0131 0.6413 0.5
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0131 0.6413 1
Plasmodium falciparum histone deacetylase 2 0.0139 0.6988 1
Echinococcus multilocularis insulin receptor 0.0058 0.1125 0.0145
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0131 0.6413 0.9177
Trypanosoma brucei histone deacetylase 3 0.0139 0.6988 1
Loa Loa (eye worm) hypothetical protein 0.0139 0.6988 0.6606
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0045 0.0238 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.3891 0.3117
Echinococcus granulosus histone deacetylase 0.0139 0.6988 0.6606
Plasmodium vivax histone deacetylase, putative 0.0139 0.6988 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0131 0.6413 0.5
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0131 0.6413 0.8508
Echinococcus granulosus epidermal growth factor receptor 0.018 1 1
Schistosoma mansoni histone deacetylase hda2 0.0139 0.6988 0.6606
Schistosoma mansoni histone deacetylase 4 5 0.0139 0.6988 0.6606
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0131 0.6413 0.5
Trypanosoma cruzi histone deacetylase, putative 0.0139 0.6988 1
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0043 0.0091 0.013
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0131 0.6413 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 4.7 uM Inhibition of tyrosine phosphorylation by full length Epidermal growth factor receptor from human A431 carcinoma cells. ChEMBL. 7562908
IC50 (functional) = 4.7 uM Inhibition of tyrosine phosphorylation by full length Epidermal growth factor receptor from human A431 carcinoma cells. ChEMBL. 7562908

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.