Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002091
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP49
IUPAC Name3-(3-methoxyphenyl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC15H17N5O
Mass283.3284
Exact Mass283.1433102
Composition C (63.59%), H (6.05%), N (24.72%), O (5.65%)
Atom Count38
PI13.13
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(ccc1)OC
InChI1S/C15H17N5O/c1-9(2)20-15-12(14(16)17-8-18-15)13(19-20)10-5-4-6-11(7-10)21-3/h4-9H,1-3H3,(H2,16,17,1
8)
InChIKeyKOICAHGTHMWKIZ-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 24905169
Drug Bank Link -
ChemSpider Link 24605292
ChEMBL Link CHEMBL1242029
 
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