Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005149
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8g
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(piperidin-1-yl)ethyl)urea
FormulaC26H30ClFN6O3
Mass529.006
Exact Mass528.205194768
Composition C (59.03%), H (5.72%), Cl (6.7%), F (3.59%), N (15.89%), O (9.07%)
Atom Count67
PI10.04
Smiles[H]N(C(=O)N([H])C([H])([H])C([H])([H])N1C([H])([H])C([H])([H])C([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/C26H30ClFN6O3/c27-20-12-17(4-5-21(20)28)32-25-19-13-23(33-26(35)29-7-10-34-8-2-1-3-9-34)24(14-22(
19)30-16-31-25)37-18-6-11-36-15-18/h4-5,12-14,16,18H,1-3,6-11,15H2,(H2,29,33,35)(H,30,31,32)/t18-/m0
/s1
InChIKeyRLKFWXIKUUDQPW-SFHVURJKSA-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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