Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000383
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article24 compound
IUPAC NameN-{4-[(3-bromophenyl)amino]-3-cyanoquinolin-6-yl}-4-(dipropylamino)but-2-ynamide
FormulaC26H26BrN5O
Mass504.422
Exact Mass503.1320731
Composition C (61.91%), H (5.2%), Br (15.84%), N (13.88%), O (3.17%)
Atom Count59
PI10.47
Smilesc12c(ccc(c1)NC(=O)C#CCN(CCC)CCC)ncc(c2Nc1cccc(c1)Br)C#N
InChI1S/C26H26BrN5O/c1-3-12-32(13-4-2)14-6-9-25(33)30-22-10-11-24-23(16-22)26(19(17-28)18-29-24)31-21-8-5
-7-20(27)15-21/h5,7-8,10-11,15-16,18H,3-4,12-14H2,1-2H3,(H,29,31)(H,30,33)
InChIKeyNYRBHASTRFCNHY-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
Reference12502359
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 11733863
Drug Bank Link -
ChemSpider Link 9908576
ChEMBL Link CHEMBL115187
 
TOP