Detailed information for compound 151449

Basic information

Technical information
  • TDR Targets ID: 151449
  • Name: 4-N-(3-bromophenyl)-7-N-ethylquinazoline-4,7- diamine
  • MW: 343.221 | Formula: C16H15BrN4
  • H donors: 2 H acceptors: 2 LogP: 4.46 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1ccc2c(c1)ncnc2Nc1cccc(c1)Br
  • InChi: 1S/C16H15BrN4/c1-2-18-12-6-7-14-15(9-12)19-10-20-16(14)21-13-5-3-4-11(17)8-13/h3-10,18H,2H2,1H3,(H,19,20,21)
  • InChiKey: GXYLLTHBINHTRN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N4-(3-bromophenyl)-N7-ethyl-quinazoline-4,7-diamine
  • N4-(3-bromophenyl)-N7-ethylquinazoline-4,7-diamine
  • [4-(3-bromoanilino)quinazolin-7-yl]-ethyl-amine
  • N-(3-bromophenyl)-N'-ethylquinazoline-4,7-diamine
  • N-(3-bromophenyl)-N'-ethyl-quinazoline-4,7-diamine
  • [4-[(3-bromophenyl)amino]quinazolin-7-yl]-ethyl-amine
  • PD153035 Analog 41

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 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
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 mansoni tyrosine kinase 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
Schistosoma japonicum IPR006212,Furin-like repeat;IPR009030,Growth factor, receptor,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 Epidermal growth factor receptor precursor, putative 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 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 hypothetical protein 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 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 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
Brugia malayi Furin-like cysteine rich region family protein 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 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 Receptor tyrosine-protein kinase erbB-4 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
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
Echinococcus multilocularis epidermal growth factor receptor 0.0097 0.0457 0.0457
Brugia malayi thymidylate synthase 0.0126 0.0797 0.0797
Chlamydia trachomatis dihydrofolate reductase 0.0916 1 0.5
Echinococcus granulosus thymidylate synthase 0.0126 0.0797 0.0797
Echinococcus granulosus dihydrofolate reductase 0.0916 1 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0594 0.6245 0.5
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0594 0.6245 0.5
Schistosoma mansoni tyrosine kinase 0.018 0.1428 0.1428
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0916 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0097 0.0457 0.0457
Echinococcus granulosus epidermal growth factor receptor 0.018 0.1428 0.1428
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0916 1 1
Schistosoma mansoni tyrosine kinase 0.0096 0.0445 0.0445
Echinococcus multilocularis epidermal growth factor receptor 0.018 0.1428 0.1428
Echinococcus multilocularis thymidylate synthase 0.0126 0.0797 0.0797
Brugia malayi Furin-like cysteine rich region family protein 0.018 0.1428 0.1428
Onchocerca volvulus 0.0126 0.0797 0.5
Schistosoma mansoni tyrosine kinase 0.0096 0.0445 0.0445
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0126 0.0797 0.0797
Echinococcus multilocularis dihydrofolate reductase 0.0916 1 1
Brugia malayi hypothetical protein 0.006 0.0028 0.0028
Loa Loa (eye worm) dihydrofolate reductase 0.0916 1 1
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0594 0.6245 1
Schistosoma mansoni dihydrofolate reductase 0.0916 1 1
Brugia malayi Dihydrofolate reductase 0.0916 1 1
Schistosoma mansoni tyrosine kinase 0.0097 0.0457 0.0457
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0126 0.0797 0.0772
Loa Loa (eye worm) TK/EGFR protein kinase 0.018 0.1428 0.1428
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0594 0.6245 0.5
Echinococcus granulosus epidermal growth factor receptor 0.0097 0.0457 0.0457
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0594 0.6245 0.5
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0594 0.6245 0.5
Schistosoma mansoni tyrosine kinase 0.0097 0.0457 0.0457
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0916 1 1
Loa Loa (eye worm) thymidylate synthase 0.0126 0.0797 0.0797
Schistosoma mansoni tyrosine kinase 0.0096 0.0445 0.0445
Trichomonas vaginalis conserved hypothetical protein 0.006 0.0028 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 7.92 Inhibition of EGFR (unknown origin) ChEMBL. 18271520
IC50 (binding) = 12 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) = 12 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
Log IC50 (binding) = 7.92 Inhibition of EGFR (unknown origin) ChEMBL. 18271520

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

2 literature references were collected for this gene.

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