Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004569
Inhibitor ClassPyrimido-Pyrimidine
Molecule Name in Refrence Article2c
IUPAC NameN-[3-(7-{[2-methoxy-4-(piperidin-1-yl)phenyl]amino}-3-methyl-2-oxo-1H,2H,3H,4H-pyrimido[4,5-d][1,3]diazin-1-yl)phenyl]prop-2-enamide
FormulaC28H31N7O3
Mass513.5908
Exact Mass513.2488379
Composition C (65.48%), H (6.08%), N (19.09%), O (9.35%)
Atom Count69
PI9.15
Smilesc1(ccc(c(c1)OC)Nc1ncc2c(n1)N(C(=O)N(C2)C)c1cccc(c1)NC(=O)C=C)N1CCCCC1
InChI1S/C28H31N7O3/c1-4-25(36)30-20-9-8-10-22(15-20)35-26-19(18-33(2)28(35)37)17-29-27(32-26)31-23-12-11-
21(16-24(23)38-3)34-13-6-5-7-14-34/h4,8-12,15-17H,1,5-7,13-14,18H2,2-3H3,(H,30,36)(H,29,31,32)
InChIKeyLVNSLWQSIRXKLZ-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 57343705
Drug Bank Link -
ChemSpider Link 28527899
ChEMBL Link -
 
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