Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003590
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article7 compound
IUPAC Name3-N,4-N-diphenyl-7H-pyrazolo[3,4-d]pyrimidine-3,4-diamine
FormulaC17H14N6
Mass302.3333
Exact Mass302.1279945
Composition C (67.54%), H (4.67%), N (27.8%)
Atom Count37
PI4.55
Smilesc1(c2c(nc[nH]c2nn1)Nc1ccccc1)Nc1ccccc1
InChI1S/C17H14N6/c1-3-7-12(8-4-1)20-15-14-16(19-11-18-15)22-23-17(14)21-13-9-5-2-6-10-13/h1-11H,(H3,18,19
,20,21,22,23)
InChIKeyIZWVMBDZDRQDDZ-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
Find Similar Compounds
                                   

Reported activity against other enzymesv-Abl | PKC alpha | c-Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4484993
ChEMBL Link CHEMBL332333
 
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