Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002078
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP327
IUPAC Name5-{4-amino-1-[(2S)-butan-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-methylphenol
FormulaC16H19N5O
Mass297.355
Exact Mass297.1589603
Composition C (64.63%), H (6.44%), N (23.55%), O (5.38%)
Atom Count41
PI8.24
Smilesn1cnc2c(c1N)c(nn2[C@@H](C)CC)c1cc(c(cc1)C)O
InChI1S/C16H19N5O/c1-4-10(3)21-16-13(15(17)18-8-19-16)14(20-21)11-6-5-9(2)12(22)7-11/h5-8,10,22H,4H2,1-3H
3,(H2,17,18,19)/t10-/m0/s1
InChIKeyYKDLGDBIORZVLP-JTQLQIEISA-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 -
Drug Bank Link -
ChemSpider Link 24605170
ChEMBL Link CHEMBL1242109
 
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