Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002163
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP359
IUPAC Name1-cyclopentyl-3-(4-ethoxy-3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC19H23N5O2
Mass353.4182
Exact Mass353.185175
Composition C (64.57%), H (6.56%), N (19.82%), O (9.05%)
Atom Count49
PI13.13
Smilesn1cnc2c(c1N)c(nn2C1CCCC1)c1cc(c(cc1)OCC)OC
InChI1S/C19H23N5O2/c1-3-26-14-9-8-12(10-15(14)25-2)17-16-18(20)21-11-22-19(16)24(23-17)13-6-4-5-7-13/h8-1
1,13H,3-7H2,1-2H3,(H2,20,21,22)
InChIKeyAAHKGRWRYBCWDL-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 24905296
Drug Bank Link -
ChemSpider Link 24605162
ChEMBL Link CHEMBL1240554
 
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