Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005155
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8m
IUPAC NameS)-3-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1-(2-(dimethylamino)ethyl)-1-methylurea
FormulaC24H28ClFN6O3
Mass502.969
Exact Mass502.189544704
Composition C (57.31%), H (5.61%), Cl (7.05%), F (3.78%), N (16.71%), O (9.54%)
Atom Count63
PI10.05
Smiles[H]N(C(=O)N(C([H])([H])[H])C([H])([H])C([H])([H])N(C([H])([H])[H])C([H])([H])[H])C1=C([H])C2=C(N=C([H])N=C2C([H])=C1O[C@]1([H])C([H])([H])OC([H])([H])C1([H])[H])N([H])C1=C([H])C(Cl)=C(F)C([H])=C1[H]
InChI1S/C24H28ClFN6O3/c1-31(2)7-8-32(3)24(33)30-21-11-17-20(12-22(21)35-16-6-9-34-13-16)27-14-28-23(17)29
-15-4-5-19(26)18(25)10-15/h4-5,10-12,14,16H,6-9,13H2,1-3H3,(H,30,33)(H,27,28,29)/t16-/m0/s1
InChIKeyYYHFEFKIJAZQPJ-INIZCTEOSA-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
Reference24183742
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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