Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003191
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3m compound
IUPAC NameN-{2-chloro-5-[(6,7-dimethoxyquinazolin-4-yl)methyl]phenyl}-3-(dimethylamino)benzamide
FormulaC26H25ClN4O3
Mass476.955
Exact Mass476.1615184
Composition C (65.47%), H (5.28%), Cl (7.43%), N (11.75%), O (10.06%)
Atom Count59
PI7.24
Smilesc12cc(c(cc1ncnc2Cc1cc(c(cc1)Cl)NC(=O)c1cc(ccc1)N(C)C)OC)OC
InChI1S/C26H25ClN4O3/c1-31(2)18-7-5-6-17(12-18)26(32)30-23-11-16(8-9-20(23)27)10-21-19-13-24(33-3)25(34-4
)14-22(19)29-15-28-21/h5-9,11-15H,10H2,1-4H3,(H,30,32)
InChIKeyUPHSTKWVUHQIJT-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
Reference15454232
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesp38 alpha |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL184682
 
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