Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001545
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article11 compound
IUPAC NameN-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]-1H-imidazo[4,5-g]quinazolin-8-amine
FormulaC19H19BrN6
Mass411.298
Exact Mass410.0854573
Composition C (55.48%), H (4.66%), Br (19.43%), N (20.43%)
Atom Count45
PI12.28
Smilesc12c(cc3c(c1)n(cn3)CCN(C)C)ncnc2Nc1cccc(c1)Br
InChI1S/C19H19BrN6/c1-25(2)6-7-26-12-23-17-10-16-15(9-18(17)26)19(22-11-21-16)24-14-5-3-4-13(20)8-14/h3-5
,8-12H,6-7H2,1-2H3,(H,21,22,24)
InChIKeyFIBRZYOROMWVIM-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 5328235
Drug Bank Link -
ChemSpider Link 4485400
ChEMBL Link CHEMBL176891
 
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