Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003071
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article7a compound
IUPAC Name6-(buta-2,3-dien-1-yloxy)-4-[(3-chlorophenyl)amino]quinazolin-7-ol
FormulaC18H14ClN3O2
Mass339.776
Exact Mass339.0774544
Composition C (63.63%), H (4.15%), Cl (10.43%), N (12.37%), O (9.42%)
Atom Count38
PI6.54
Smilesc1(c(cc2c(c1)c(ncn2)Nc1cc(ccc1)Cl)O)OCC=C=C
InChI1S/C18H14ClN3O2/c1-2-3-7-24-17-9-14-15(10-16(17)23)20-11-21-18(14)22-13-6-4-5-12(19)8-13/h3-6,8-11,2
3H,1,7H2,(H,20,21,22)
InChIKeyHPCAJGIOGMEMOW-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
Reference19969465
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 -
Drug Bank Link -
ChemSpider Link 24656674
ChEMBL Link CHEMBL609321
 
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