Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003358
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article25v compound
IUPAC Name(2E)-N-[4-({3-chloro-4-[(1R)-1-phenylethoxy]phenyl}amino)-3-cyano-7-ethoxyquinolin-6-yl]-4-(dimethylamino)but-2-enamide
FormulaC32H32ClN5O3
Mass570.081
Exact Mass569.2193676
Composition C (67.42%), H (5.66%), Cl (6.22%), N (12.28%), O (8.42%)
Atom Count73
PI10.67
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(O[C@@H](c2ccccc2)C)cc1)Cl
InChI1S/C32H32ClN5O3/c1-5-40-30-18-27-25(17-28(30)37-31(39)12-9-15-38(3)4)32(23(19-34)20-35-27)36-24-13-1
4-29(26(33)16-24)41-21(2)22-10-7-6-8-11-22/h6-14,16-18,20-21H,5,15H2,1-4H3,(H,35,36)(H,37,39)/b12-9+
/t21-/m1/s1
InChIKeyURLZPDCQQKRKNR-VZOQVYJPSA-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 11203886
Drug Bank Link -
ChemSpider Link 9378954
ChEMBL Link CHEMBL360662
 
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