Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004017
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5r compound
IUPAC Name2-(6,7-diethoxy-4-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}quinazolin-2-yl)acetic acid
FormulaC24H24N4O4S
Mass464.537
Exact Mass464.151826
Composition C (62.05%), H (5.21%), N (12.06%), O (13.78%), S (6.9%)
Atom Count57
PI3.92
Smilesc12c(nc(nc1cc(c(c2)OCC)OCC)CC(=O)O)Nc1cc(c2csc(n2)C)ccc1
InChI1S/C24H24N4O4S/c1-4-31-20-10-17-18(11-21(20)32-5-2)27-22(12-23(29)30)28-24(17)26-16-8-6-7-15(9-16)19
-13-33-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,29,30)(H,26,27,28)
InChIKeyXICSNJBVTZIFOD-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
Reference12190310
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesF16BP |
Pub Chem Link 10151782
Drug Bank Link -
ChemSpider Link 8327290
ChEMBL Link CHEMBL341121
 
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