Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002146
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP21
IUPAC Name5-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]pyridine-2-carbonitrile
FormulaC14H13N7
Mass279.2999
Exact Mass279.1232435
Composition C (60.2%), H (4.69%), N (35.1%)
Atom Count34
PI13.12
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cnc(cc1)C#N
InChI1S/C14H13N7/c1-8(2)21-14-11(13(16)18-7-19-14)12(20-21)9-3-4-10(5-15)17-6-9/h3-4,6-8H,1-2H3,(H2,16,18
,19)
InChIKeyUMZSNSKPDRINJC-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 24905341
Drug Bank Link -
ChemSpider Link 24605118
ChEMBL Link CHEMBL1241772
 
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