Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002125
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP143
IUPAC Name6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-4H-chromen-4-one
FormulaC17H15N5O2
Mass321.3333
Exact Mass321.1225747
Composition C (63.54%), H (4.71%), N (21.79%), O (9.96%)
Atom Count39
PI10.97
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)occc2=O
InChI1S/C17H15N5O2/c1-9(2)22-17-14(16(18)19-8-20-17)15(21-22)10-3-4-13-11(7-10)12(23)5-6-24-13/h3-9H,1-2H
3,(H2,18,19,20)
InChIKeyYRJGEWAWXXEJNX-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 24905229
Drug Bank Link -
ChemSpider Link 24605230
ChEMBL Link CHEMBL1242118
 
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