Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005160
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8r
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3,3-difluoropyrrolidine-1-carboxamide
FormulaC23H21ClF3N5O3
Mass507.893
Exact Mass507.128501885
Composition C (54.39%), H (4.17%), Cl (6.98%), F (11.22%), N (13.79%), O (9.45%)
Atom Count56
PI8
Smiles[H]N(C(=O)N1C([H])([H])C([H])([H])C(F)(F)C1([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/C23H21ClF3N5O3/c24-16-7-13(1-2-17(16)25)30-21-15-8-19(31-22(33)32-5-4-23(26,27)11-32)20(9-18(15)2
8-12-29-21)35-14-3-6-34-10-14/h1-2,7-9,12,14H,3-6,10-11H2,(H,31,33)(H,28,29,30)/t14-/m0/s1
InChIKeySQWZVZOXRJHIJX-AWEZNQCLSA-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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