Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000100
Inhibitor ClassBenzo-dioxane
Molecule Name in Refrence Article18a compound
IUPAC Name2-[(7R)-4-[(3-chlorophenyl)amino]-7H,8H-[1,4]dioxino[2,3-g]quinazolin-7-yl]ethan-1-ol
FormulaC18H16ClN3O3
Mass357.791
Exact Mass357.0880191
Composition C (60.42%), H (4.51%), Cl (9.91%), N (11.74%), O (13.42%)
Atom Count41
PI10.02
SmilesOCC[C@@H]1COc2c(O1)cc1c(Nc3cc(Cl)ccc3)ncnc1c2
InChI1S/C18H16ClN3O3/c19-11-2-1-3-12(6-11)22-18-14-7-17-16(8-15(14)20-10-21-18)24-9-13(25-17)4-5-23/h1-3,
6-8,10,13,23H,4-5,9H2,(H,20,21,22)/t13-/m1/s1
InChIKeyZKSLWCIQJMLFPG-CYBMUJFWSA-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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