Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005169
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article9a
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(prop-2-ynyl)urea
FormulaC22H19ClFN5O3
Mass455.869
Exact Mass455.116045411
Composition C (57.96%), H (4.2%), Cl (7.78%), F (4.17%), N (15.36%), O (10.53%)
Atom Count51
PI8.04
Smiles[H]C#CC([H])([H])N([H])C(=O)N([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/C22H19ClFN5O3/c1-2-6-25-22(30)29-19-9-15-18(10-20(19)32-14-5-7-31-11-14)26-12-27-21(15)28-13-3-4-
17(24)16(23)8-13/h1,3-4,8-10,12,14H,5-7,11H2,(H2,25,29,30)(H,26,27,28)/t14-/m0/s1
InChIKeyIJIPMONKZNYTTI-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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