Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000917
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article28 compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}-N'-[3-(morpholin-4-yl)propyl]but-2-enediamide
FormulaC24H26BrN7O3
Mass540.412
Exact Mass539.1280504
Composition C (53.34%), H (4.85%), Br (14.79%), N (18.14%), O (8.88%)
Atom Count61
PI9.57
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C(=O)NCCCN1CCOCC1
InChI1S/C24H26BrN7O3/c25-17-3-1-4-18(13-17)30-24-19-14-21(27-15-20(19)28-16-29-24)31-23(34)6-5-22(33)26-7
-2-8-32-9-11-35-12-10-32/h1,3-6,13-16H,2,7-12H2,(H,26,33)(H,27,31,34)(H,28,29,30)/b6-5+
InChIKeyJPHMUYSWHKPNKF-AATRIKPKSA-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 5329089
Drug Bank Link -
ChemSpider Link 4486251
ChEMBL Link CHEMBL136058
 
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