Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000632
Inhibitor ClassQuinazoline
Molecule Name in Refrence Article4-(3- bromo, 4-hydroxyanilino)-6,7-dimethoxyquinazoline (WHI-P154)
IUPAC Name2-bromo-4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
FormulaC16H14BrN3O3
Mass376.205
Exact Mass375.021854
Composition C (51.08%), H (3.75%), Br (21.24%), N (11.17%), O (12.76%)
Atom Count37
PI6.79
Smilesc12c(cc(c(c1)OC)OC)ncnc2Nc1cc(c(cc1)O)Br
InChI1S/C16H14BrN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-13(21)11(17)5-9/h3-8,21H,1-2H3,
(H,18,19,20)
InChIKeyCBIAKDAYHRWZCU-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
Reference10632369
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesBTK | IR | JAK1 | HCK | JAK3 | SYK | ALL
Pub Chem Link 3795
Drug Bank Link -
ChemSpider Link 3663
ChEMBL Link CHEMBL473773
 
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