Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000218
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article14 compound
IUPAC NameN-[7-(3-{[(1R)-3-hydroxy-1-methyl-4-[(morpholin-4-yl)amino]-2-oxocyclopent-3-en-1-yl]oxy}propoxy)-4-[(3-methylphenyl)amino]quinazolin-6-yl]prop-2-enamide
FormulaC31H36N6O6
Mass588.6541
Exact Mass588.2696329
Composition C (63.25%), H (6.16%), N (14.28%), O (16.31%)
Atom Count79
PI6.76
SmilesO=C(Nc1cc2c(cc1OCCCO[C@]1(C)CC(=C(C1=O)O)NN1CCOCC1)ncnc2Nc1cccc(c1)C)C=C
InChI1S/C31H36N6O6/c1-4-27(38)35-24-16-22-23(32-19-33-30(22)34-21-8-5-7-20(2)15-21)17-26(24)42-11-6-12-43
-31(3)18-25(28(39)29(31)40)36-37-9-13-41-14-10-37/h4-5,7-8,15-17,19,36,39H,1,6,9-14,18H2,2-3H3,(H,35
,38)(H,32,33,34)/t31-/m1/s1
InChIKeyRCTUAJOHRSOJSP-WJOKGBTCSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL27688
 
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