Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002228
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP97
IUPAC Name3-(1-benzofuran-5-yl)-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC18H17N5O
Mass319.3605
Exact Mass319.1433102
Composition C (67.7%), H (5.37%), N (21.93%), O (5.01%)
Atom Count41
PI13.13
Smilesn1cnc2c(c1N)c(nn2C1CCCC1)c1cc2c(cc1)occ2
InChI1S/C18H17N5O/c19-17-15-16(12-5-6-14-11(9-12)7-8-24-14)22-23(13-3-1-2-4-13)18(15)21-10-20-17/h5-10,13
H,1-4H2,(H2,19,20,21)
InChIKeyIVPZQVJSLCFTTO-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 24905196
Drug Bank Link -
ChemSpider Link 24605264
ChEMBL Link CHEMBL1241491
 
TOP