Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000211
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]-7-[4-(piperidin-4-yl)butoxy]quinazolin-6-yl}prop-2-enamide
FormulaC26H30BrN5O2
Mass524.453
Exact Mass523.1582879
Composition C (59.54%), H (5.77%), Br (15.24%), N (13.35%), O (6.1%)
Atom Count64
PI11.45
SmilesO=C(Nc1cc2c(cc1OCCCCC1CCNCC1)ncnc2Nc1cccc(c1)Br)C=C
InChI1S/C26H30BrN5O2/c1-2-25(33)32-23-15-21-22(29-17-30-26(21)31-20-8-5-7-19(27)14-20)16-24(23)34-13-4-3-
6-18-9-11-28-12-10-18/h2,5,7-8,14-18,28H,1,3-4,6,9-13H2,(H,32,33)(H,29,30,31)
InChIKeyCJPRDSUCXPIEEM-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
Reference10753475
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 -
ChEMBL Link CHEMBL32844
 
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