Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002531
Inhibitor ClassIso-quinoline
Molecule Name in Refrence Article17 compound
IUPAC NameN-{1-[(3-bromophenyl)amino]-4-cyanoisoquinolin-7-yl}-3-(1H-indol-2-yl)propanamide
FormulaC27H20BrN5O
Mass510.385
Exact Mass509.0851229
Composition C (63.54%), H (3.95%), Br (15.66%), N (13.72%), O (3.13%)
Atom Count54
PI7.81
Smilesc1(ccc2c(c1)c(ncc2C#N)Nc1cc(ccc1)Br)NC(=O)CCc1cc2c([nH]1)cccc2
InChI1S/C27H20BrN5O/c28-19-5-3-6-20(13-19)33-27-24-14-22(8-10-23(24)18(15-29)16-30-27)32-26(34)11-9-21-12
-17-4-1-2-7-25(17)31-21/h1-8,10,12-14,16,31H,9,11H2,(H,30,33)(H,32,34)
InChIKeyXQAGTHUVMXMRDQ-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 enzymesNo activity data against other kinases present in database
Pub Chem Link 53321754
Drug Bank Link -
ChemSpider Link 26380070
ChEMBL Link CHEMBL1641998
 
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