Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002179
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP409
IUPAC Name5-{4-amino-1-[(3R)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol
FormulaC15H15ClN6O
Mass330.772
Exact Mass330.0995868
Composition C (54.47%), H (4.57%), Cl (10.72%), N (25.41%), O (4.84%)
Atom Count38
PI9.12
Smilesn1cnc2c(c1N)c(nn2[C@@H]1CCNC1)c1cc(c(cc1)Cl)O
InChI1S/C15H15ClN6O/c16-10-2-1-8(5-11(10)23)13-12-14(17)19-7-20-15(12)22(21-13)9-3-4-18-6-9/h1-2,5,7,9,18
,23H,3-4,6H2,(H2,17,19,20)/t9-/m1/s1
InChIKeyUBJGLXSFXKIIFY-SECBINFHSA-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905312
Drug Bank Link -
ChemSpider Link 24605146
ChEMBL Link CHEMBL1241677
 
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