Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000752
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article49 compound
IUPAC Name4-N-(3-bromophenyl)-7-N-methyl-6-nitroquinazoline-4,7-diamine
FormulaC15H12BrN5O2
Mass374.192
Exact Mass373.0174373
Composition C (48.15%), H (3.23%), Br (21.35%), N (18.72%), O (8.55%)
Atom Count35
PI10.02
Smilesc12c(cc(c(c1)N(=O)=O)NC)ncnc2Nc1cccc(c1)Br
InChI1S/C15H12BrN5O2/c1-17-13-7-12-11(6-14(13)21(22)23)15(19-8-18-12)20-10-4-2-3-9(16)5-10/h2-8,17H,1H3,(
H,18,19,20)
InChIKeySIBSADYFORJTDQ-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 5328215
Drug Bank Link -
ChemSpider Link 4485380
ChEMBL Link CHEMBL92936
 
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