Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002165
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP362
IUPAC Name1-cyclohexyl-3-(4-ethoxy-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC20H25N5O2
Mass367.4448
Exact Mass367.2008251
Composition C (65.37%), H (6.86%), N (19.06%), O (8.71%)
Atom Count52
PI13.13
Smilesn1cnc2c(c1N)c(nn2C1CCCCC1)c1cc(c(cc1)OCC)OC
InChI1S/C20H25N5O2/c1-3-27-15-10-9-13(11-16(15)26-2)18-17-19(21)22-12-23-20(17)25(24-18)14-7-5-4-6-8-14/h
9-12,14H,3-8H2,1-2H3,(H2,21,22,23)
InChIKeyHKWNGVFHUCRTTQ-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 24905298
Drug Bank Link -
ChemSpider Link 24605160
ChEMBL Link CHEMBL1242659
 
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