Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004812
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article9(Q:2,X:E)
IUPAC NameN-(2-benzyl-1H-1,3-benzodiazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
FormulaC24H21N5O2
Mass411.4558
Exact Mass411.1695249
Composition C (70.06%), H (5.14%), N (17.02%), O (7.78%)
Atom Count52
PI9.9
Smilesc1c(c(cc2c1c(ncn2)Nc1ccc2[nH]c(nc2c1)Cc1ccccc1)OC)OC
InChI1S/C24H21N5O2/c1-30-21-12-17-19(13-22(21)31-2)25-14-26-24(17)27-16-8-9-18-20(11-16)29-23(28-18)10-15
-6-4-3-5-7-15/h3-9,11-14H,10H2,1-2H3,(H,28,29)(H,25,26,27)
InChIKeyHKZADGIXTKBZTF-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
Reference11378364
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 44279364
Drug Bank Link -
ChemSpider Link 23127510
ChEMBL Link CHEMBL31407
 
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