Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000903
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article14 compound
IUPAC Name(2E)-N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}penta-2,4-dienamide
FormulaC18H14BrN5O
Mass396.241
Exact Mass395.0381727
Composition C (54.56%), H (3.56%), Br (20.17%), N (17.67%), O (4.04%)
Atom Count39
PI8.43
Smilesn1cnc2c(c1Nc1cccc(c1)Br)cc(nc2)NC(=O)/C=C/C=C
InChI1S/C18H14BrN5O/c1-2-3-7-17(25)24-16-9-14-15(10-20-16)21-11-22-18(14)23-13-6-4-5-12(19)8-13/h2-11H,1H
2,(H,20,24,25)(H,21,22,23)/b7-3+
InChIKeyUHUXAMBAPFKPGQ-XVNBXDOJSA-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 5329075
Drug Bank Link -
ChemSpider Link 4486237
ChEMBL Link CHEMBL139044
 
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