Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000757
Inhibitor ClassAnilino-quinazoline
Molecule Name in Refrence Article54 compound
IUPAC NameN-(3-bromophenyl)-2H-[1,3]dioxolo[4,5-g]quinazolin-8-amine
FormulaC15H10BrN3O2
Mass344.163
Exact Mass342.9956392
Composition C (52.35%), H (2.93%), Br (23.22%), N (12.21%), O (9.3%)
Atom Count31
PI10.17
Smilesc12c(cc3c(c1)OCO3)ncnc2Nc1cccc(c1)Br
InChI1S/C15H10BrN3O2/c16-9-2-1-3-10(4-9)19-15-11-5-13-14(21-8-20-13)6-12(11)17-7-18-15/h1-7H,8H2,(H,17,18
,19)
InChIKeyOLQRGQFUIYIRSU-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 | 8632415 |
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 5328220
Drug Bank Link -
ChemSpider Link 4485385
ChEMBL Link CHEMBL93051
 
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