Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004012
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article5k compound
IUPAC Name6,7-diethoxy-2-(methanesulfonylmethyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
FormulaC24H26N4O4S2
Mass498.618
Exact Mass498.1395467
Composition C (57.81%), H (5.26%), N (11.24%), O (12.83%), S (12.86%)
Atom Count60
PI9.14
Smilesc12c(nc(nc1cc(c(c2)OCC)OCC)CS(=O)(=O)C)Nc1cc(c2csc(n2)C)ccc1
InChI1S/C24H26N4O4S2/c1-5-31-21-11-18-19(12-22(21)32-6-2)27-23(14-34(4,29)30)28-24(18)26-17-9-7-8-16(10-1
7)20-13-33-15(3)25-20/h7-13H,5-6,14H2,1-4H3,(H,26,27,28)
InChIKeyIMZLZAMSILAENM-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 10195902
Drug Bank Link -
ChemSpider Link 8371402
ChEMBL Link CHEMBL129424
 
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