Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003171
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article18a compound
IUPAC Name3-[5-(3-amino-3-methylbut-1-yn-1-yl)-2-methoxyphenyl]-N-(2,4-difluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-amine
FormulaC23H20F2N6O
Mass434.4413
Exact Mass434.1666657
Composition C (63.59%), H (4.64%), F (8.75%), N (19.34%), O (3.68%)
Atom Count52
PI9.84
Smilesn1c(ncc2c1n[nH]c2c1cc(ccc1OC)C#CC(N)(C)C)Nc1c(cc(cc1)F)F
InChI1S/C23H20F2N6O/c1-23(2,26)9-8-13-4-7-19(32-3)15(10-13)20-16-12-27-22(29-21(16)31-30-20)28-18-6-5-14(
24)11-17(18)25/h4-7,10-12H,26H2,1-3H3,(H2,27,28,29,30,31)
InChIKeyOAVQAUQHQJNYKR-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
Reference16249085
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 11517688
Drug Bank Link -
ChemSpider Link 9692476
ChEMBL Link CHEMBL370808
 
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