Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000254
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article21 compound
IUPAC NameN-(3-bromophenyl)isoquinolin-1-amine
FormulaC15H11BrN2
Mass299.165
Exact Mass298.010561
Composition C (60.22%), H (3.71%), Br (26.71%), N (9.36%)
Atom Count29
PI11.03
Smilesc12c(cccc1)ccnc2Nc1cccc(c1)Br
InChI1S/C15H11BrN2/c16-12-5-3-6-13(10-12)18-15-14-7-2-1-4-11(14)8-9-17-15/h1-10H,(H,17,18)
InChIKeyXLUUAOKSTRHPIZ-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
Reference7658435 | 9154973 |
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 4321095
Drug Bank Link -
ChemSpider Link 3526009
ChEMBL Link CHEMBL39563
 
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