Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002216
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP77
IUPAC Name3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
FormulaC14H14FN5O
Mass287.2923
Exact Mass287.1182383
Composition C (58.53%), H (4.91%), F (6.61%), N (24.38%), O (5.57%)
Atom Count35
PI7.32
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1c(c(ccc1)O)F
InChI1S/C14H14FN5O/c1-7(2)20-14-10(13(16)17-6-18-14)12(19-20)8-4-3-5-9(21)11(8)15/h3-7,21H,1-2H3,(H2,16,1
7,18)
InChIKeyRXNGGTYNZUEFOM-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 24905180
Drug Bank Link -
ChemSpider Link 24605280
ChEMBL Link CHEMBL1242110
 
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