Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005146
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8d
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(dimethylamino)ethyl)urea
FormulaC23H26ClFN6O3
Mass488.942
Exact Mass488.17389464
Composition C (56.5%), H (5.36%), Cl (7.25%), F (3.89%), N (17.19%), O (9.82%)
Atom Count60
PI10.12
Smiles[H]N(C(=O)N([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/C23H26ClFN6O3/c1-31(2)7-6-26-23(32)30-20-10-16-19(11-21(20)34-15-5-8-33-12-15)27-13-28-22(16)29-1
4-3-4-18(25)17(24)9-14/h3-4,9-11,13,15H,5-8,12H2,1-2H3,(H2,26,30,32)(H,27,28,29)/t15-/m0/s1
InChIKeyUOGHOWRNOZLTER-HNNXBMFYSA-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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