Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005165
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8w
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
FormulaC26H27ClFN5O5
Mass543.974
Exact Mass543.168474911
Composition C (57.41%), H (5%), Cl (6.52%), F (3.49%), N (12.87%), O (14.71%)
Atom Count65
PI8.01
Smiles[H]N(C(=O)N1C([H])([H])C([H])([H])C2(OC([H])([H])C([H])([H])O2)C([H])([H])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/C26H27ClFN5O5/c27-19-11-16(1-2-20(19)28)31-24-18-12-22(23(13-21(18)29-15-30-24)38-17-3-8-35-14-17
)32-25(34)33-6-4-26(5-7-33)36-9-10-37-26/h1-2,11-13,15,17H,3-10,14H2,(H,32,34)(H,29,30,31)/t17-/m0/s
1
InChIKeyYXSUNYVQHKBPDQ-KRWDZBQOSA-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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