Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000755
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article52 compound
IUPAC NameN-(3-bromophenyl)-7-methoxy-6-nitroquinazolin-4-amine
FormulaC15H11BrN4O3
Mass375.177
Exact Mass374.0014529
Composition C (48.02%), H (2.96%), Br (21.3%), N (14.93%), O (12.79%)
Atom Count34
PI9.41
Smilesc12c(cc(c(c1)N(=O)=O)OC)ncnc2Nc1cccc(c1)Br
InChI1S/C15H11BrN4O3/c1-23-14-7-12-11(6-13(14)20(21)22)15(18-8-17-12)19-10-4-2-3-9(16)5-10/h2-8H,1H3,(H,1
7,18,19)
InChIKeyCZBTZBBBQGIOGA-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 5328218
Drug Bank Link -
ChemSpider Link 4485383
ChEMBL Link CHEMBL65038
 
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