Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005161
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8s
IUPAC Name(S)-N-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-4-methylpiperazine-1-carboxamide
FormulaC24H26ClFN6O3
Mass500.953
Exact Mass500.17389464
Composition C (57.54%), H (5.23%), Cl (7.08%), F (3.79%), N (16.78%), O (9.58%)
Atom Count61
PI9.3
Smiles[H]N(C(=O)N1C([H])([H])C([H])([H])N(C([H])([H])[H])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/C24H26ClFN6O3/c1-31-5-7-32(8-6-31)24(33)30-21-11-17-20(12-22(21)35-16-4-9-34-13-16)27-14-28-23(17
)29-15-2-3-19(26)18(25)10-15/h2-3,10-12,14,16H,4-9,13H2,1H3,(H,30,33)(H,27,28,29)/t16-/m0/s1
InChIKeyMLQHINYGKQJJHD-INIZCTEOSA-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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