Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004560
Inhibitor ClassPyrimido-Pyrimidine
Molecule Name in Refrence Article2h
IUPAC NameN-{3-[3-methyl-7-(methylamino)-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl]phenyl}prop-2-enamide
FormulaC17H18N6O2
Mass338.3638
Exact Mass338.1491239
Composition C (60.34%), H (5.36%), N (24.84%), O (9.46%)
Atom Count43
PI8.34
SmilesCNc1ncc2CN(C)C(=O)N(c3cccc(NC(=O)C=C)c3)c2n1
InChI1S/C17H18N6O2/c1-4-14(24)20-12-6-5-7-13(8-12)23-15-11(10-22(3)17(23)25)9-19-16(18-2)21-15/h4-9H,1,10
H2,2-3H3,(H,20,24)(H,18,19,21)
InChIKeyLYESCJLRRXBLPH-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
Reference22339342
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 57341103
Drug Bank Link -
ChemSpider Link 28506799
ChEMBL Link -
 
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