Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002197
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP487
IUPAC Name5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-bromophenol
FormulaC14H14BrN5O
Mass348.198
Exact Mass347.0381727
Composition C (48.29%), H (4.05%), Br (22.95%), N (20.11%), O (4.59%)
Atom Count35
PI7.11
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)Br)O
InChI1S/C14H14BrN5O/c1-7(2)20-14-11(13(16)17-6-18-14)12(19-20)8-3-4-9(15)10(21)5-8/h3-7,21H,1-2H3,(H2,16,
17,18)
InChIKeyZLMVXCGWUJXFNP-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
Reference18849971
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 24905145
Drug Bank Link -
ChemSpider Link 24605314
ChEMBL Link CHEMBL1241578
 
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