Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002098
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP102
IUPAC Name1-(propan-2-yl)-3-(quinolin-6-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC17H16N6
Mass304.3491
Exact Mass304.1436445
Composition C (67.09%), H (5.3%), N (27.61%)
Atom Count39
PI13.13
SmilesCC(C)n1nc(c2c1ncnc2N)c1cc2cccnc2cc1
InChI1S/C17H16N6/c1-10(2)23-17-14(16(18)20-9-21-17)15(22-23)12-5-6-13-11(8-12)4-3-7-19-13/h3-10H,1-2H3,(H
2,18,20,21)
InChIKeyGEZALMMCQYDFML-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 24905152
Drug Bank Link -
ChemSpider Link 24605261
ChEMBL Link CHEMBL1233882
 
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