Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004210
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3i compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(2-hydroxyethyl)amino)ethan-1-ol
FormulaC17H18BrN5O2
Mass404.261
Exact Mass403.0643875
Composition C (50.51%), H (4.49%), Br (19.77%), N (17.32%), O (7.92%)
Atom Count43
PI9.91
Smilesn1cnc(c2c1cc(nc2)N(CCO)CCO)Nc1cc(ccc1)Br
InChI1S/C17H18BrN5O2/c18-12-2-1-3-13(8-12)22-17-14-10-19-16(9-15(14)20-11-21-17)23(4-6-24)5-7-25/h1-3,8-1
1,24-25H,4-7H2,(H,20,21,22)
InChIKeyLYENTQSFLVZYRJ-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
Reference9397172
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 -
Drug Bank Link -
ChemSpider Link 4485468
ChEMBL Link CHEMBL128759
 
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