Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002156
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP323
IUPAC Name5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methylphenol
FormulaC15H17N5O
Mass283.3284
Exact Mass283.1433102
Composition C (63.59%), H (6.05%), N (24.72%), O (5.65%)
Atom Count38
PI8.24
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)C)O
InChI1S/C15H17N5O/c1-8(2)20-15-12(14(16)17-7-18-15)13(19-20)10-5-4-9(3)11(21)6-10/h4-8,21H,1-3H3,(H2,16,1
7,18)
InChIKeyBTIKYUUNPGWLNG-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 24905287
Drug Bank Link -
ChemSpider Link 24605172
ChEMBL Link CHEMBL1242026
 
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