Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002108
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP120
IUPAC Name1-methyl-3-{1H-pyrrolo[2,3-b]pyridin-5-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC13H11N7
Mass265.2733
Exact Mass265.1075934
Composition C (58.86%), H (4.18%), N (36.96%)
Atom Count31
PI10.78
Smilesn1cnc2c(c1N)c(nn2C)c1cc2c(nc1)[nH]cc2
InChI1S/C13H11N7/c1-20-13-9(11(14)17-6-18-13)10(19-20)8-4-7-2-3-15-12(7)16-5-8/h2-6H,1H3,(H,15,16)(H2,14,
17,18)
InChIKeyPGXQNHGXDFCMOJ-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 24905210
Drug Bank Link DB08052
ChemSpider Link 24605249
ChEMBL Link CHEMBL1240565
 
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