Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002076
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP305
IUPAC Name3-(3-ethoxy-4-methoxyphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC17H21N5O2
Mass327.3809
Exact Mass327.1695249
Composition C (62.37%), H (6.47%), N (21.39%), O (9.77%)
Atom Count45
PI13.13
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)OC)OCC
InChI1S/C17H21N5O2/c1-5-24-13-8-11(6-7-12(13)23-4)15-14-16(18)19-9-20-17(14)22(21-15)10(2)3/h6-10H,5H2,1-
4H3,(H2,18,19,20)
InChIKeyCIRFQCDQKJVIFC-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 52945630
Drug Bank Link -
ChemSpider Link 26349641
ChEMBL Link CHEMBL1242752
 
TOP