Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002193
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP465
IUPAC Name5-{4-amino-1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol
FormulaC18H20FN5O
Mass341.3827
Exact Mass341.1651885
Composition C (63.33%), H (5.91%), F (5.57%), N (20.51%), O (4.69%)
Atom Count45
PI7.27
Smilesn1cnc2c(c1N)c(nn2C1CCCCCC1)c1cc(c(cc1)F)O
InChI1S/C18H20FN5O/c19-13-8-7-11(9-14(13)25)16-15-17(20)21-10-22-18(15)24(23-16)12-5-3-1-2-4-6-12/h7-10,1
2,25H,1-6H2,(H2,20,21,22)
InChIKeyXNODQMMIMXSTMX-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905327
Drug Bank Link -
ChemSpider Link 24605131
ChEMBL Link CHEMBL1242750
 
TOP