Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002522
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article8 compound
IUPAC NameN-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-4-(dimethylamino)butanamide
FormulaC22H22BrN5O
Mass452.347
Exact Mass451.100773
Composition C (58.41%), H (4.9%), Br (17.66%), N (15.48%), O (3.54%)
Atom Count51
PI11.67
Smilesc1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)CCCN(C)C
InChI1S/C22H22BrN5O/c1-28(2)10-4-7-21(29)26-18-8-9-19-15(13-24)14-25-22(20(19)12-18)27-17-6-3-5-16(23)11-
17/h3,5-6,8-9,11-12,14H,4,7,10H2,1-2H3,(H,25,27)(H,26,29)
InChIKeyJFEJSBHDIHUJSI-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
Find Similar Compounds
                                   

Reported activity against other enzymesMLCK |
Pub Chem Link 53317828
Drug Bank Link -
ChemSpider Link 26376365
ChEMBL Link CHEMBL1641989
 
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