Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004871
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3
IUPAC Name1-N-(6,7-dimethoxyquinazolin-4-yl)-4-N-phenylbenzene-1,4-diamine
FormulaC22H20N4O2
Mass372.4198
Exact Mass372.1586259
Composition C (70.95%), H (5.41%), N (15.04%), O (8.59%)
Atom Count48
PI11.03
SmilesCOc1c(OC)cc2c(Nc3ccc(cc3)Nc3ccccc3)ncnc2c1
InChI1S/C22H20N4O2/c1-27-20-12-18-19(13-21(20)28-2)23-14-24-22(18)26-17-10-8-16(9-11-17)25-15-6-4-3-5-7-1
5/h3-14,25H,1-2H3,(H,23,24,26)
InChIKeyZZKJIHJVQOKWHA-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
Reference22867529
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 54574212
Drug Bank Link -
ChemSpider Link -
ChEMBL Link -
 
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