Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000220
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article16 compound
IUPAC NameN-{4-[(3-bromo-4-fluorophenyl)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
FormulaC30H32BrFN6O6
Mass671.514
Exact Mass670.1550736
Composition C (53.66%), H (4.8%), Br (11.9%), F (2.83%), N (12.52%), O (14.3%)
Atom Count76
PI6.76
SmilesO=C(Nc1cc2c(cc1OCCCO[C@]1(C)CC(=C(C1=O)O)NN1CCOCC1)ncnc2Nc1ccc(c(c1)Br)F)C=C
InChI1S/C30H32BrFN6O6/c1-3-26(39)36-23-14-19-22(33-17-34-29(19)35-18-5-6-21(32)20(31)13-18)15-25(23)43-9-
4-10-44-30(2)16-24(27(40)28(30)41)37-38-7-11-42-12-8-38/h3,5-6,13-15,17,37,40H,1,4,7-12,16H2,2H3,(H,
36,39)(H,33,34,35)/t30-/m1/s1
InChIKeyAQWFOJUJBYDDLD-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 CHEMBL27685
 
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