Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001515
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article8d compound
IUPAC NameN-[4-(benzenesulfonyl)phenyl]-6-{4-[(methanesulfonylmethyl)amino]butoxy}quinazolin-4-amine
FormulaC26H28N4O5S2
Mass540.654
Exact Mass540.1501114
Composition C (57.76%), H (5.22%), N (10.36%), O (14.8%), S (11.86%)
Atom Count65
PI10.82
Smilesc12c(ccc(c1)OCCCCNCS(=O)(=O)C)ncnc2Nc1ccc(cc1)S(=O)(=O)c1ccccc1
InChI1S/C26H28N4O5S2/c1-36(31,32)19-27-15-5-6-16-35-21-11-14-25-24(17-21)26(29-18-28-25)30-20-9-12-23(13-
10-20)37(33,34)22-7-3-2-4-8-22/h2-4,7-14,17-18,27H,5-6,15-16,19H2,1H3,(H,28,29,30)
InChIKeyUDIYTAFBHFLWLB-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 44269735
Drug Bank Link -
ChemSpider Link 23113928
ChEMBL Link CHEMBL279334
 
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