Detailed information for compound 153086

Basic information

Technical information
  • TDR Targets ID: 153086
  • Name: N-(2-bromophenyl)-6,7-dimethoxyquinazolin-4-a mine
  • MW: 360.205 | Formula: C16H14BrN3O2
  • H donors: 1 H acceptors: 2 LogP: 4.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(ncnc2cc1OC)Nc1ccccc1Br
  • InChi: 1S/C16H14BrN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
  • InChiKey: WNZXENIFRJQCEE-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(2-bromophenyl)-6,7-dimethoxy-quinazolin-4-amine
  • N-(2-bromophenyl)-6,7-dimethoxy-4-quinazolinamine
  • (2-bromophenyl)-(6,7-dimethoxyquinazolin-4-yl)amine
  • PD153035 Analog 66

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
Schistosoma japonicum ko:K05085 receptor tyrosine-protein kinase erbB-4, 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 IPR000494,EGF receptor, L domain,domain-containing 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 Epidermal growth factor receptor precursor, putative Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum expressed protein 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
Echinococcus multilocularis 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
Echinococcus granulosus epidermal growth factor receptor 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 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 mansoni tyrosine 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
Echinococcus granulosus melanoma receptor tyrosine protein kinase Get druggable targets OG5_128597 All targets in OG5_128597
Schistosoma japonicum hypothetical protein 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 Receptor tyrosine-protein kinase erbB-4 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 mansoni tyrosine kinase 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 IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,domain-containing 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 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 Epidermal growth factor receptor precursor, putative 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 bromodomain containing protein 0.007 0.2029 0.1011
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.7097 1
Echinococcus granulosus insulin receptor 0.0058 0.1459 0.1271
Echinococcus multilocularis L aminoadipate semialdehyde 0.0092 0.3038 0.3716
Schistosoma mansoni tyrosine kinase 0.0096 0.3216 0.3117
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.1847 0.1871
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.3263 0.4064
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0058 0.1459 0.1271
Echinococcus multilocularis 0.0056 0.1376 0.1142
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0026 0 0.5
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0026 0 0.5
Onchocerca volvulus 0.0092 0.3038 0.5
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0026 0 0.5
Echinococcus multilocularis insulin receptor 0.0058 0.1459 0.1271
Brugia malayi Protein kinase domain containing protein 0.0058 0.1459 0.1968
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.3263 0.4064
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0092 0.3038 0.3594
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Schistosoma mansoni tyrosine kinase 0.018 0.7097 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0882 0.019
Mycobacterium leprae conserved hypothetical protein 0.0026 0 0.5
Brugia malayi Bromodomain containing protein 0.0042 0.0758 0.097
Echinococcus granulosus L aminoadipate semialdehyde 0.0092 0.3038 0.3716
Schistosoma mansoni tyrosine kinase 0.0097 0.3263 0.32
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0026 0 0.5
Brugia malayi Bromodomain containing protein 0.0083 0.2624 0.3628
Loa Loa (eye worm) TK/INSR protein kinase 0.0058 0.1459 0.11
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0026 0 0.5
Trypanosoma brucei squalene monooxygenase, putative 0.0243 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.1847 0.1871
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0092 0.3038 0.4218
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0026 0 0.5
Entamoeba histolytica hypothetical protein 0.0026 0 0.5
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0092 0.3038 0.2802
Trypanosoma cruzi squalene monooxygenase, putative 0.0243 1 0.5
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0026 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0979 0.0343
Loa Loa (eye worm) hypothetical protein 0.0078 0.2407 0.2597
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.7097 1
Echinococcus granulosus epidermal growth factor receptor 0.018 0.7097 1
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.7097 1
Trypanosoma cruzi squalene monooxygenase, putative 0.0243 1 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.3263 0.4064
Schistosoma mansoni tyrosine kinase 0.0096 0.3216 0.3117
Schistosoma mansoni tyrosine kinase 0.0097 0.3263 0.32
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0058 0.1459 0.1271
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0026 0 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.3216 0.3117

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 128 nM Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A431 cell vesicles ChEMBL. 8568816
IC50 (binding) = 128 nM Concentration required to inhibit the phosphorylation of a 14-residue fragment of phospholipase C gamma 1 by Epidermal growth factor receptor from A431 cell vesicles ChEMBL. 8568816

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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