Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002530
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article16 compound
IUPAC NameN-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}furan-3-carboxamide
FormulaC21H13BrN4O2
Mass433.258
Exact Mass432.0221883
Composition C (58.22%), H (3.02%), Br (18.44%), N (12.93%), O (7.39%)
Atom Count41
PI6
Smilesc1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)c1ccoc1
InChI1S/C21H13BrN4O2/c22-15-2-1-3-16(8-15)25-20-19-9-17(26-21(27)13-6-7-28-12-13)4-5-18(19)14(10-23)11-24
-20/h1-9,11-12H,(H,24,25)(H,26,27)
InChIKeyAYKBCVLWKNGVRR-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 53324441
Drug Bank Link -
ChemSpider Link 26375540
ChEMBL Link CHEMBL1641997
 
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