Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001510
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article13a compound
IUPAC NameN-[4-(benzyloxy)phenyl]-6-{3-[(2-methanesulfonylethyl)(methyl)amino]propyl}quinazolin-4-amine
FormulaC28H32N4O3S
Mass504.644
Exact Mass504.2195116
Composition C (66.64%), H (6.39%), N (11.1%), O (9.51%), S (6.35%)
Atom Count68
PI11.88
Smilesc12c(ccc(c1)CCCN(CCS(=O)(=O)C)C)ncnc2Nc1ccc(cc1)OCc1ccccc1
InChI1S/C28H32N4O3S/c1-32(17-18-36(2,33)34)16-6-9-22-10-15-27-26(19-22)28(30-21-29-27)31-24-11-13-25(14-1
2-24)35-20-23-7-4-3-5-8-23/h3-5,7-8,10-15,19,21H,6,9,16-18,20H2,1-2H3,(H,29,30,31)
InChIKeyUPUSNGBILSLQMW-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
Reference14684309
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 54365988
Drug Bank Link -
ChemSpider Link -
ChEMBL Link CHEMBL14874
 
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