Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002168
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP377
IUPAC Name5-[4-amino-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenol
FormulaC17H19FN6O
Mass342.3708
Exact Mass342.1604375
Composition C (59.64%), H (5.59%), F (5.55%), N (24.55%), O (4.67%)
Atom Count44
PI9.17
Smilesn1cnc2c(c1N)c(nn2CC1CCNCC1)c1cc(c(cc1)F)O
InChI1S/C17H19FN6O/c18-12-2-1-11(7-13(12)25)15-14-16(19)21-9-22-17(14)24(23-15)8-10-3-5-20-6-4-10/h1-2,7,
9-10,20,25H,3-6,8H2,(H2,19,21,22)
InChIKeyUUXPLQHZTQRNPY-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 24905301
Drug Bank Link -
ChemSpider Link 24605157
ChEMBL Link CHEMBL1242844
 
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