Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002524
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article10 compound
IUPAC NameN-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}propanamide
FormulaC19H15BrN4O
Mass395.253
Exact Mass394.0429238
Composition C (57.74%), H (3.83%), Br (20.22%), N (14.17%), O (4.05%)
Atom Count40
PI7.83
Smilesc1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)CC
InChI1S/C19H15BrN4O/c1-2-18(25)23-15-6-7-16-12(10-21)11-22-19(17(16)9-15)24-14-5-3-4-13(20)8-14/h3-9,11H,
2H2,1H3,(H,22,24)(H,23,25)
InChIKeyAFVIMMLJKNYLCQ-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
Reference21130659
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 53325743
Drug Bank Link -
ChemSpider Link 26380396
ChEMBL Link CHEMBL1641991
 
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