Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002153
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP32
IUPAC Name4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorobenzamide
FormulaC15H15ClN6O
Mass330.772
Exact Mass330.0995868
Composition C (54.47%), H (4.57%), Cl (10.72%), N (25.41%), O (4.84%)
Atom Count38
PI9.66
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)C(=O)N)Cl
InChI1S/C15H15ClN6O/c1-7(2)22-15-11(13(17)19-6-20-15)12(21-22)8-3-4-9(14(18)23)10(16)5-8/h3-7H,1-2H3,(H2,
18,23)(H2,17,19,20)
InChIKeyNZELPIPZPVLYLT-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 52942235
Drug Bank Link -
ChemSpider Link 26352791
ChEMBL Link CHEMBL1241862
 
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