Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005158
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8p
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-hydroxyazetidine-1-carboxamide
FormulaC22H21ClFN5O4
Mass473.885
Exact Mass473.126610097
Composition C (55.76%), H (4.47%), Cl (7.48%), F (4.01%), N (14.78%), O (13.5%)
Atom Count54
PI8
Smiles[H]OC1([H])C([H])([H])N(C(=O)N([H])C2=C([H])C3=C(N=C([H])N=C3C([H])=C2O[C@]2([H])C([H])([H])OC([H])([H])C2([H])[H])N([H])C2=C([H])C(Cl)=C(F)C([H])=C2[H])C1([H])[H]
InChI1S/C22H21ClFN5O4/c23-16-5-12(1-2-17(16)24)27-21-15-6-19(28-22(31)29-8-13(30)9-29)20(7-18(15)25-11-26
-21)33-14-3-4-32-10-14/h1-2,5-7,11,13-14,30H,3-4,8-10H2,(H,28,31)(H,25,26,27)/t14-/m0/s1
InChIKeyJTRXGTLYGPZLRF-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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