Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000217
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13 compound
IUPAC NameN-{4-[(3-methylphenyl)amino]-7-[4-(piperidin-4-yl)butoxy]quinazolin-6-yl}prop-2-enamide
FormulaC27H33N5O2
Mass459.5832
Exact Mass459.2634253
Composition C (70.56%), H (7.24%), N (15.24%), O (6.96%)
Atom Count67
PI11.45
SmilesO=C(Nc1cc2c(cc1OCCCCC1CCNCC1)ncnc2Nc1cccc(c1)C)C=C
InChI1S/C27H33N5O2/c1-3-26(33)32-24-16-22-23(29-18-30-27(22)31-21-9-6-7-19(2)15-21)17-25(24)34-14-5-4-8-2
0-10-12-28-13-11-20/h3,6-7,9,15-18,20,28H,1,4-5,8,10-14H2,2H3,(H,32,33)(H,29,30,31)
InChIKeyKYUAXNWQCPPTRL-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 CHEMBL31622
 
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