Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001544
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article10 compound
IUPAC NameN-(3-bromophenyl)-1-methyl-1H-imidazo[4,5-g]quinazolin-8-amine
FormulaC16H12BrN5
Mass354.204
Exact Mass353.0276081
Composition C (54.25%), H (3.41%), Br (22.56%), N (19.77%)
Atom Count34
PI10.28
Smilesc12c(cc3c(c1)n(cn3)C)ncnc2Nc1cccc(c1)Br
InChI1S/C16H12BrN5/c1-22-9-20-14-7-13-12(6-15(14)22)16(19-8-18-13)21-11-4-2-3-10(17)5-11/h2-9H,1H3,(H,18,
19,21)
InChIKeyLQIKOEJHMCCOSP-UHFFFAOYSA-N
2D Structure
Structure Backbone
View Structure in JmolClick to view 3 d structure                            Download Mol File
Drug Like PropertyDruglikeliness
Symmetry & GeometrySymmetry And Geometrical Information
Activity & Binding Activity against isoform and covalant binding information
Topological PropertiesDescriptors
Reference8632415
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5328234
Drug Bank Link -
ChemSpider Link 4485399
ChEMBL Link CHEMBL176582
 
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