Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001504
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article4a compound
IUPAC Name4-{[4-(benzyloxy)phenyl]amino}quinazolin-6-ol
FormulaC21H17N3O2
Mass343.3786
Exact Mass343.1320768
Composition C (73.45%), H (4.99%), N (12.24%), O (9.32%)
Atom Count43
PI6.74
Smilesc12c(ccc(c1)O)ncnc2Nc1ccc(cc1)OCc1ccccc1
InChI1S/C21H17N3O2/c25-17-8-11-20-19(12-17)21(23-14-22-20)24-16-6-9-18(10-7-16)26-13-15-4-2-1-3-5-15/h1-1
2,14,25H,13H2,(H,22,23,24)
InChIKeyBURBAFXROHRDAV-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 5329481
Drug Bank Link -
ChemSpider Link 4486632
ChEMBL Link CHEMBL14932
 
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