Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004803
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article11
IUPAC NameN-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-2,3-dihydro-1,4-benzodioxine-5-carboxamide
FormulaC23H17BrN4O3
Mass477.31
Exact Mass476.0484031
Composition C (57.88%), H (3.59%), Br (16.74%), N (11.74%), O (10.06%)
Atom Count48
PI7.12
Smilesc12cccc(c1OCCO2)C(=O)Nc1cc2c(cc1)ncnc2Nc1cccc(c1)Br
InChI1S/C23H17BrN4O3/c24-14-3-1-4-15(11-14)27-22-18-12-16(7-8-19(18)25-13-26-22)28-23(29)17-5-2-6-20-21(1
7)31-10-9-30-20/h1-8,11-13H,9-10H2,(H,28,29)(H,25,26,27)
InChIKeyAVICQXMQJJNWFE-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
Reference22901387
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 -
Drug Bank Link -
ChemSpider Link 28514146
ChEMBL Link -
 
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