Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000765
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article62 compound
IUPAC Name4-N-(3-bromophenyl)-6,7-dimethoxyquinazoline-2,4-diamine
FormulaC16H15BrN4O2
Mass375.22
Exact Mass374.0378384
Composition C (51.22%), H (4.03%), Br (21.3%), N (14.93%), O (8.53%)
Atom Count38
PI11.4
Smilesc12c(cc(c(c1)OC)OC)nc(nc2Nc1cc(ccc1)Br)N
InChI1S/C16H15BrN4O2/c1-22-13-7-11-12(8-14(13)23-2)20-16(18)21-15(11)19-10-5-3-4-9(17)6-10/h3-8H,1-2H3,(H
3,18,19,20,21)
InChIKeyWYYHXJFKSMRPCR-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
Reference8568816
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 5328226
Drug Bank Link -
ChemSpider Link 4485391
ChEMBL Link CHEMBL93295
 
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