Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002149
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP23
IUPAC Name3-(3,4-dimethoxyphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC16H19N5O2
Mass313.3544
Exact Mass313.1538749
Composition C (61.33%), H (6.11%), N (22.35%), O (10.21%)
Atom Count42
PI13.13
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)OC)OC
InChI1S/C16H19N5O2/c1-9(2)21-16-13(15(17)18-8-19-16)14(20-21)10-5-6-11(22-3)12(7-10)23-4/h5-9H,1-4H3,(H2,
17,18,19)
InChIKeyCJFWNLXLAAHQJY-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 24905343
Drug Bank Link -
ChemSpider Link 24605116
ChEMBL Link CHEMBL1242290
 
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