Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004446
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article6b compound
IUPAC Name4-[({4-[(3-chlorophenyl)amino]quinazolin-6-yl}amino)methyl]phenol
FormulaC21H17ClN4O
Mass376.839
Exact Mass376.1090889
Composition C (66.93%), H (4.55%), Cl (9.41%), N (14.87%), O (4.25%)
Atom Count44
PI6.98
Smilesn1cnc(c2c1ccc(c2)NCc1ccc(cc1)O)Nc1cc(ccc1)Cl
InChI1S/C21H17ClN4O/c22-15-2-1-3-17(10-15)26-21-19-11-16(6-9-20(19)24-13-25-21)23-12-14-4-7-18(27)8-5-14/
h1-11,13,23,27H,12H2,(H,24,25,26)
InChIKeyMKCNIOCGDKPKDS-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 57395419
Drug Bank Link -
ChemSpider Link 28489350
ChEMBL Link CHEMBL1928886
 
TOP