Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002128
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP147
IUPAC Name6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-4-amine
FormulaC17H17N7
Mass319.3638
Exact Mass319.1545436
Composition C (63.93%), H (5.37%), N (30.7%)
Atom Count41
PI13.89
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)nccc2N
InChI1S/C17H17N7/c1-9(2)24-17-14(16(19)21-8-22-17)15(23-24)10-3-4-13-11(7-10)12(18)5-6-20-13/h3-9H,1-2H3,
(H2,18,20)(H2,19,21,22)
InChIKeyGDPCGYDMVIPGLD-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 24905233
Drug Bank Link -
ChemSpider Link 24605226
ChEMBL Link CHEMBL1242034
 
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