Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003324
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article21c compound
IUPAC Name(2E)-N-(4-{[1-(benzenesulfonyl)-1H-indol-5-yl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
FormulaC32H30N6O4S
Mass594.683
Exact Mass594.2049242
Composition C (64.63%), H (5.08%), N (14.13%), O (10.76%), S (5.39%)
Atom Count73
PI10.67
SmilesS(=O)(=O)(n1c2c(cc1)cc(Nc1c3c(ncc1C#N)cc(c(c3)NC(=O)/C=C/CN(C)C)OCC)cc2)c1ccccc1
InChI1S/C32H30N6O4S/c1-4-42-30-19-27-26(18-28(30)36-31(39)11-8-15-37(2)3)32(23(20-33)21-34-27)35-24-12-13
-29-22(17-24)14-16-38(29)43(40,41)25-9-6-5-7-10-25/h5-14,16-19,21H,4,15H2,1-3H3,(H,34,35)(H,36,39)/b
11-8+
InChIKeyPCAULTNLFAMHON-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 11307866
Drug Bank Link -
ChemSpider Link 9482841
ChEMBL Link CHEMBL179164
 
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