Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004550
Inhibitor ClassPyrimido-Pyrimidine
Molecule Name in Refrence Article2r
IUPAC NameN-[3-(7-{[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]amino}-3-(naphthalen-2-yl)-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide
FormulaC37H36N8O3
Mass640.7335
Exact Mass640.2910371
Composition C (69.36%), H (5.66%), N (17.49%), O (7.49%)
Atom Count84
PI10.39
Smilesc1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)c1cc2c(cc1)cccc2)c1cccc(c1)NC(=O)C=C)N1CCN(CC1)C
InChI1S/C37H36N8O3/c1-4-34(46)39-28-10-7-11-31(21-28)45-35-27(24-44(37(45)47)30-13-12-25-8-5-6-9-26(25)20
-30)23-38-36(41-35)40-32-15-14-29(22-33(32)48-3)43-18-16-42(2)17-19-43/h4-15,20-23H,1,16-19,24H2,2-3
H3,(H,39,46)(H,38,40,41)
InChIKeyCAAQIXNRUIJYOQ-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 57341491
Drug Bank Link -
ChemSpider Link 28506826
ChEMBL Link -
 
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