Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003584
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article1 compound
IUPAC Name1,3-diphenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC17H13N5
Mass287.3186
Exact Mass287.1170954
Composition C (71.06%), H (4.56%), N (24.37%)
Atom Count35
PI13.02
Smilesn1cnc2c(c1N)c(nn2c1ccccc1)c1ccccc1
InChI1S/C17H13N5/c18-16-14-15(12-7-3-1-4-8-12)21-22(17(14)20-11-19-16)13-9-5-2-6-10-13/h1-11H,(H2,18,19,2
0)
InChIKeyCGWOMXNQGSNOHL-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
Reference9357527
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | v-Abl | PKC alpha | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4484990
ChEMBL Link CHEMBL122243
 
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