Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004442
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article6d compound
IUPAC Name4-N-(3-chlorophenyl)-6-N-[(4-fluorophenyl)methyl]quinazoline-4,6-diamine
FormulaC21H16ClFN4
Mass378.83
Exact Mass378.1047524
Composition C (66.58%), H (4.26%), Cl (9.36%), F (5.02%), N (14.79%)
Atom Count43
PI10.48
Smilesn1cnc(c2c1ccc(c2)NCc1ccc(cc1)F)Nc1cc(ccc1)Cl
InChI1S/C21H16ClFN4/c22-15-2-1-3-18(10-15)27-21-19-11-17(8-9-20(19)25-13-26-21)24-12-14-4-6-16(23)7-5-14/
h1-11,13,24H,12H2,(H,25,26,27)
InChIKeyVGXWVXZEXJZFAC-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
Reference22112541
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 57395420
Drug Bank Link -
ChemSpider Link 28489352
ChEMBL Link CHEMBL1928888
 
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