Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002208
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP55
IUPAC Name1-{3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}ethan-1-one
FormulaC16H17N5O
Mass295.3391
Exact Mass295.1433102
Composition C (65.07%), H (5.8%), N (23.71%), O (5.42%)
Atom Count39
PI11.27
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(ccc1)C(=O)C
InChI1S/C16H17N5O/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)12-6-4-5-11(7-12)10(3)22/h4-9H,1-3H3,(H2,17,1
8,19)
InChIKeyILURHKUMGMVIKK-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 52945845
Drug Bank Link -
ChemSpider Link 26351523
ChEMBL Link CHEMBL1241946
 
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