Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004225
Inhibitor ClassPyrido-pyrimidine
Molecule Name in Refrence Article3x compound
IUPAC NameN-(3-bromophenyl)-7-hydrazinylpyrido[4,3-d]pyrimidin-4-amine
FormulaC13H11BrN6
Mass331.171
Exact Mass330.022857
Composition C (47.15%), H (3.35%), Br (24.13%), N (25.38%)
Atom Count31
PI10.91
Smilesn1cnc(c2c1cc(nc2)NN)Nc1cc(ccc1)Br
InChI1S/C13H11BrN6/c14-8-2-1-3-9(4-8)19-13-10-6-16-12(20-15)5-11(10)17-7-18-13/h1-7H,15H2,(H,16,20)(H,17,
18,19)
InChIKeyXKJIVVHNSBAGCH-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 4485483
ChEMBL Link CHEMBL340508
 
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