Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002136
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP156
IUPAC Name5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
FormulaC15H15N7O
Mass309.3259
Exact Mass309.1338081
Composition C (58.24%), H (4.89%), N (31.7%), O (5.17%)
Atom Count38
PI9.57
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)[nH]c(=O)[nH]2
InChI1S/C15H15N7O/c1-7(2)22-14-11(13(16)17-6-18-14)12(21-22)8-3-4-9-10(5-8)20-15(23)19-9/h3-7H,1-2H3,(H2,
16,17,18)(H2,19,20,23)
InChIKeyDUQGHTXMYYQABR-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 24905241
Drug Bank Link -
ChemSpider Link 24605218
ChEMBL Link CHEMBL1241586
 
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