Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000915
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article26 compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(dimethylamino)propyl]but-2-enediamide
FormulaC22H24BrN7O2
Mass498.376
Exact Mass497.1174857
Composition C (53.02%), H (4.85%), Br (16.03%), N (19.67%), O (6.42%)
Atom Count56
PI10.71
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCN(C)C
InChI1S/C22H24BrN7O2/c1-30(2)10-4-9-24-20(31)7-8-21(32)29-19-12-17-18(13-25-19)26-14-27-22(17)28-16-6-3-5
-15(23)11-16/h3,5-8,11-14H,4,9-10H2,1-2H3,(H,24,31)(H,25,29,32)(H,26,27,28)/b8-7+
InChIKeyIDQAZRHOHYFAOQ-BQYQJAHWSA-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
Reference11462982
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 5329087
Drug Bank Link -
ChemSpider Link 4486249
ChEMBL Link CHEMBL334801
 
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