Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004566
Inhibitor ClassPyrimido-Pyrimidine
Molecule Name in Refrence Article2d
IUPAC NameN-[3-(7-{[2-methoxy-4-(morpholin-4-yl)phenyl]amino}-3-methyl-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide
FormulaC27H29N7O4
Mass515.5637
Exact Mass515.2281025
Composition C (62.9%), H (5.67%), N (19.02%), O (12.41%)
Atom Count67
PI7.23
Smilesc1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCOCC1
InChI1S/C27H29N7O4/c1-4-24(35)29-19-6-5-7-21(14-19)34-25-18(17-32(2)27(34)36)16-28-26(31-25)30-22-9-8-20(
15-23(22)37-3)33-10-12-38-13-11-33/h4-9,14-16H,1,10-13,17H2,2-3H3,(H,29,35)(H,28,30,31)
InChIKeyMYGPUCMHVBVSTH-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 57343706
Drug Bank Link -
ChemSpider Link 28527764
ChEMBL Link -
 
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