Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000018
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8 compound
IUPAC Name(2R,4R)-1-({4-[(3-chloro-2-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}methyl)-4-methoxypyrrolidine-2-carboxamide
FormulaC22H23ClFN5O3
Mass459.901
Exact Mass459.1473455
Composition C (57.45%), H (5.04%), Cl (7.71%), F (4.13%), N (15.23%), O (10.44%)
Atom Count55
PI9.79
Smilesc12cc(c(cc1ncnc2Nc1cccc(c1F)Cl)OC)CN1[C@H](C[C@H](C1)OC)C(=O)N
InChI1S/C22H23ClFN5O3/c1-31-13-7-18(21(25)30)29(10-13)9-12-6-14-17(8-19(12)32-2)26-11-27-22(14)28-16-5-3-
4-15(23)20(16)24/h3-6,8,11,13,18H,7,9-10H2,1-2H3,(H2,25,30)(H,26,27,28)/t13-,18-/m1/s1
InChIKeyYFQAPABPZZSLEM-FZKQIMNGSA-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
Reference16516473
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23269942
ChEMBL Link CHEMBL207235
 
TOP