Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000212
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]-7-(3-{[(1R)-3-hydroxy-1-methyl-4-[(morpholin-4-yl)amino]-2-oxocyclopent-3-en-1-yl]oxy}propoxy)quinazolin-6-yl}prop-2-enamide
FormulaC30H33BrN6O6
Mass653.524
Exact Mass652.1644955
Composition C (55.14%), H (5.09%), Br (12.23%), N (12.86%), O (14.69%)
Atom Count76
PI6.76
SmilesO=C(Nc1cc2c(cc1OCCCO[C@]1(C)CC(=C(C1=O)O)NN1CCOCC1)ncnc2Nc1cccc(c1)Br)C=C
InChI1S/C30H33BrN6O6/c1-3-26(38)35-23-15-21-22(32-18-33-29(21)34-20-7-4-6-19(31)14-20)16-25(23)42-10-5-11
-43-30(2)17-24(27(39)28(30)40)36-37-8-12-41-13-9-37/h3-4,6-7,14-16,18,36,39H,1,5,8-13,17H2,2H3,(H,35
,38)(H,32,33,34)/t30-/m1/s1
InChIKeyLWWBJINAFWOAOP-SSEXGKCCSA-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL31419
 
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