Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002176
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP403
IUPAC Name5-{4-amino-1-[(3S)-pyrrolidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol
FormulaC15H15FN6O
Mass314.3176
Exact Mass314.1291373
Composition C (57.32%), H (4.81%), F (6.04%), N (26.74%), O (5.09%)
Atom Count38
PI9.35
Smilesn1cnc2c(c1N)c(nn2[C@H]1CCNC1)c1cc(c(cc1)F)O
InChI1S/C15H15FN6O/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-/m0/s1
InChIKeyFHNLPTRXVQOXQO-VIFPVBQESA-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 24905309
Drug Bank Link -
ChemSpider Link 24605149
ChEMBL Link CHEMBL1242657
 
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