Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004213
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3l compound
IUPAC Name4-N-(3-bromophenyl)-7-N-[2-(dimethylamino)ethyl]pyrido[4,3-d]pyrimidine-4,7-diamine
FormulaC17H19BrN6
Mass387.277
Exact Mass386.0854573
Composition C (52.72%), H (4.95%), Br (20.63%), N (21.7%)
Atom Count43
PI11.93
Smilesn1cnc(c2c1cc(nc2)NCCN(C)C)Nc1cc(ccc1)Br
InChI1S/C17H19BrN6/c1-24(2)7-6-19-16-9-15-14(10-20-16)17(22-11-21-15)23-13-5-3-4-12(18)8-13/h3-5,8-11H,6-
7H2,1-2H3,(H,19,20)(H,21,22,23)
InChIKeyYOKVZXZOOHPMFL-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 4485471
ChEMBL Link CHEMBL128432
 
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