Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000785
Inhibitor ClassAnilino-pyrimidine
Molecule Name in Refrence Article8j compound
IUPAC NameN-(3-{2-[4-({3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}amino)pyrimidin-5-yl]ethynyl}phenyl)-3-methanesulfonylpropanamide
FormulaC29H24ClFN4O4S
Mass579.042
Exact Mass578.1190819
Composition C (60.15%), H (4.18%), Cl (6.12%), F (3.28%), N (9.68%), O (11.05%), S (5.54%)
Atom Count64
PI8.24
Smilesc1c(cc(c(c1)OCc1cc(ccc1)F)Cl)Nc1c(cncn1)C#Cc1cccc(c1)NC(=O)CCS(=O)(=O)C
InChI1S/C29H24ClFN4O4S/c1-40(37,38)13-12-28(36)34-24-7-3-4-20(15-24)8-9-22-17-32-19-33-29(22)35-25-10-11-
27(26(30)16-25)39-18-21-5-2-6-23(31)14-21/h2-7,10-11,14-17,19H,12-13,18H2,1H3,(H,34,36)(H,32,33,35)
InChIKeyUZGXHZBWNFJHQD-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
Reference16483772
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 -
Drug Bank Link -
ChemSpider Link 23269752
ChEMBL Link CHEMBL381080
 
TOP