Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0001846
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article12a compound
IUPAC NameN-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-5-[(1-methylpiperidin-4-yl)oxy]quinazolin-4-amine
FormulaC26H26ClN5O2
Mass475.97
Exact Mass475.1775028
Composition C (65.61%), H (5.51%), Cl (7.45%), N (14.71%), O (6.72%)
Atom Count60
PI12.02
Smilesc1(c2c(OC3CCN(CC3)C)cccc2ncn1)Nc1cc(c(OCc2ncccc2)cc1)Cl
InChI1S/C26H26ClN5O2/c1-32-13-10-20(11-14-32)34-24-7-4-6-22-25(24)26(30-17-29-22)31-18-8-9-23(21(27)15-18
)33-16-19-5-2-3-12-28-19/h2-9,12,15,17,20H,10-11,13-14,16H2,1H3,(H,29,30,31)
InChIKeyMKNGJNHUZSCTJU-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
Reference16055332
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 10288761
Drug Bank Link -
ChemSpider Link 8464230
ChEMBL Link CHEMBL193544
 
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