Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003323
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article21b compound
IUPAC Name(2E)-N-{4-[(1-benzyl-2,3-dihydro-1H-indol-5-yl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
FormulaC33H34N6O2
Mass546.6621
Exact Mass546.2743244
Composition C (72.5%), H (6.27%), N (15.37%), O (5.85%)
Atom Count75
PI10.67
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc2c(N(Cc3ccccc3)CC2)cc1
InChI1S/C33H34N6O2/c1-4-41-31-19-28-27(18-29(31)37-32(40)11-8-15-38(2)3)33(25(20-34)21-35-28)36-26-12-13-
30-24(17-26)14-16-39(30)22-23-9-6-5-7-10-23/h5-13,17-19,21H,4,14-16,22H2,1-3H3,(H,35,36)(H,37,40)/b1
1-8+
InChIKeyBJAGGLCSYNEXDA-DHZHZOJOSA-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
Reference15715478
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 11387244
Drug Bank Link -
ChemSpider Link 9562155
ChEMBL Link CHEMBL179310
 
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