Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002139
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP159
IUPAC Name3-(4-fluoro-1H-indazol-6-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
FormulaC15H14FN7
Mass311.317
Exact Mass311.1294717
Composition C (57.87%), H (4.53%), F (6.1%), N (31.49%)
Atom Count37
PI9.76
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(c(c1)F)cn[nH]2
InChI1S/C15H14FN7/c1-7(2)23-15-12(14(17)18-6-19-15)13(22-23)8-3-10(16)9-5-20-21-11(9)4-8/h3-7H,1-2H3,(H,2
0,21)(H2,17,18,19)
InChIKeyVVLOLXBDTFEURK-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 24905244
Drug Bank Link -
ChemSpider Link 24605215
ChEMBL Link CHEMBL1242573
 
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