Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004032
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article3a compound
IUPAC NameN-{4-[(4,5-dichloro-2-fluorophenyl)amino]quinazolin-6-yl}-2-methoxyacetamide
FormulaC17H13Cl2FN4O2
Mass395.215
Exact Mass394.0399593
Composition C (51.66%), H (3.32%), Cl (17.94%), F (4.81%), N (14.18%), O (8.1%)
Atom Count39
PI8.19
Smilesc1(c2c(ncn1)ccc(c2)NC(=O)COC)Nc1cc(c(cc1F)Cl)Cl
InChI1S/C17H13Cl2FN4O2/c1-26-7-16(25)23-9-2-3-14-10(4-9)17(22-8-21-14)24-15-6-12(19)11(18)5-13(15)20/h2-6
,8H,7H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyBOTQXVZWXJGWAV-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
Reference16078851
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 10385997
Drug Bank Link -
ChemSpider Link 8561439
ChEMBL Link CHEMBL190651
 
TOP