Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0005145
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8c
IUPAC Name(S)-1-(4-(3-Chloro-4-fluorophenylamino)-7-(tetrahydrofuran-3-yloxy)quinazolin-6-yl)-3-(2-(methylsulfonyl)ethyl)urea
FormulaC22H23ClFN5O5S
Mass523.965
Exact Mass523.109245473
Composition C (50.43%), H (4.42%), Cl (6.77%), F (3.63%), N (13.37%), O (15.27%), S (6.12%)
Atom Count58
PI8.06
Smiles[H]N(C(=O)N([H])C([H])([H])C([H])([H])S(=O)(=O)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/C22H23ClFN5O5S/c1-35(31,32)7-5-25-22(30)29-19-9-15-18(10-20(19)34-14-4-6-33-11-14)26-12-27-21(15)
28-13-2-3-17(24)16(23)8-13/h2-3,8-10,12,14H,4-7,11H2,1H3,(H2,25,29,30)(H,26,27,28)/t14-/m0/s1
InChIKeyFSGGHFJAQJIEQT-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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