Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004206
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3e compound
IUPAC Name2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}(methyl)amino)ethan-1-ol
FormulaC16H16BrN5O
Mass374.235
Exact Mass373.0538228
Composition C (51.35%), H (4.31%), Br (21.35%), N (18.71%), O (4.28%)
Atom Count39
PI9.99
Smilesn1cnc(c2c1cc(nc2)N(CCO)C)Nc1cc(ccc1)Br
InChI1S/C16H16BrN5O/c1-22(5-6-23)15-8-14-13(9-18-15)16(20-10-19-14)21-12-4-2-3-11(17)7-12/h2-4,7-10,23H,5
-6H2,1H3,(H,19,20,21)
InChIKeyFXWAFRDJXXFRPI-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 4485464
ChEMBL Link CHEMBL341319
 
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