Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000083
Inhibitor ClassBenzo-dioxane
Molecule Name in Refrence Article3a compound
IUPAC Name(7R)-N-(4-bromo-2-fluorophenyl)-7-[2-(4-methylpiperazin-1-yl)ethyl]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-4-amine
FormulaC23H25BrFN5O2
Mass502.379
Exact Mass501.1175659
Composition C (54.99%), H (5.02%), Br (15.91%), F (3.78%), N (13.94%), O (6.37%)
Atom Count57
PI11.1
SmilesCN1CCN(CC[C@@H]2COc3c(O2)cc2c(Nc4c(F)cc(Br)cc4)ncnc2c3)CC1
InChI1S/C23H25BrFN5O2/c1-29-6-8-30(9-7-29)5-4-16-13-31-21-12-20-17(11-22(21)32-16)23(27-14-26-20)28-19-3-
2-15(24)10-18(19)25/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,26,27,28)/t16-/m1/s1
InChIKeyXLSBJBFIKZFEKU-MRXNPFEDSA-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
Reference21732342
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
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