Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001740
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article20 Compound
IUPAC NameN-(3-chloro-2-fluorophenyl)-6-[(1-methanesulfonylpiperidin-4-yl)oxy]-7-methoxyquinazolin-4-amine
FormulaC21H22ClFN4O4S
Mass480.94
Exact Mass480.1034318
Composition C (52.44%), H (4.61%), Cl (7.37%), F (3.95%), N (11.65%), O (13.31%), S (6.67%)
Atom Count54
PI9.01
Smilesc12c(cc(c(c1)OC1CCN(CC1)S(=O)(=O)C)OC)ncnc2Nc1cccc(c1F)Cl
InChI1S/C21H22ClFN4O4S/c1-30-18-11-17-14(10-19(18)31-13-6-8-27(9-7-13)32(2,28)29)21(25-12-24-17)26-16-5-3
-4-15(22)20(16)23/h3-5,10-13H,6-9H2,1-2H3,(H,24,25,26)
InChIKeyBDLUIKGKNQFJIO-UHFFFAOYSA-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
Reference16806916
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 10005402
Drug Bank Link -
ChemSpider Link 8180982
ChEMBL Link CHEMBL387265
 
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