Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003357
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article25u compound
IUPAC Name(2E)-N-(4-{[3-chloro-4-(naphthalen-2-ylmethoxy)phenyl]amino}-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
FormulaC35H32ClN5O3
Mass606.113
Exact Mass605.2193676
Composition C (69.36%), H (5.32%), Cl (5.85%), N (11.55%), O (7.92%)
Atom Count76
PI10.67
Smilesc12c(c(C#N)cnc1cc(c(c2)NC(=O)/C=C/CN(C)C)OCC)Nc1cc(c(OCc2cc3c(cc2)cccc3)cc1)Cl
InChI1S/C35H32ClN5O3/c1-4-43-33-19-30-28(18-31(33)40-34(42)10-7-15-41(2)3)35(26(20-37)21-38-30)39-27-13-1
4-32(29(36)17-27)44-22-23-11-12-24-8-5-6-9-25(24)16-23/h5-14,16-19,21H,4,15,22H2,1-3H3,(H,38,39)(H,4
0,42)/b10-7+
InChIKeyULMZSUGIZVDJDK-JXMROGBWSA-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 11192753
Drug Bank Link -
ChemSpider Link 9367828
ChEMBL Link CHEMBL178573
 
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