Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002173
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP399
IUPAC Name5-{4-amino-1-[(5-methyl-2-phenyl-2H-1,2,3-triazol-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol
FormulaC21H17FN8O
Mass416.4111
Exact Mass416.1509354
Composition C (60.57%), H (4.11%), F (4.56%), N (26.91%), O (3.84%)
Atom Count48
PI7.26
Smilesn1cnc2c(c1N)c(nn2Cc1nn(nc1C)c1ccccc1)c1cc(c(cc1)F)O
InChI1S/C21H17FN8O/c1-12-16(27-30(26-12)14-5-3-2-4-6-14)10-29-21-18(20(23)24-11-25-21)19(28-29)13-7-8-15(
22)17(31)9-13/h2-9,11,31H,10H2,1H3,(H2,23,24,25)
InChIKeyIYVUNPAVFASLSV-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 24905307
Drug Bank Link -
ChemSpider Link 24605151
ChEMBL Link CHEMBL1242845
 
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