Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005154
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8l
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(3-(diethylamino)propyl)urea
FormulaC26H32ClFN6O3
Mass531.022
Exact Mass530.220844832
Composition C (58.81%), H (6.07%), Cl (6.68%), F (3.58%), N (15.83%), O (9.04%)
Atom Count69
PI10.8
Smiles[H]N(C(=O)N([H])C([H])([H])C([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([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/C26H32ClFN6O3/c1-3-34(4-2)10-5-9-29-26(35)33-23-13-19-22(14-24(23)37-18-8-11-36-15-18)30-16-31-25
(19)32-17-6-7-21(28)20(27)12-17/h6-7,12-14,16,18H,3-5,8-11,15H2,1-2H3,(H2,29,33,35)(H,30,31,32)/t18-
/m0/s1
InChIKeyIWDBZVDOUJFIND-SFHVURJKSA-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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