Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002217
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP78
IUPAC Name3-{4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol
FormulaC16H16FN5O
Mass313.3295
Exact Mass313.1338884
Composition C (61.33%), H (5.15%), F (6.06%), N (22.35%), O (5.11%)
Atom Count39
PI7.32
Smilesn1cnc2c(c1N)c(nn2C1CCCC1)c1c(c(ccc1)O)F
InChI1S/C16H16FN5O/c17-13-10(6-3-7-11(13)23)14-12-15(18)19-8-20-16(12)22(21-14)9-4-1-2-5-9/h3,6-9,23H,1-2
,4-5H2,(H2,18,19,20)
InChIKeyCHPHDLQQSCKHOK-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 24905181
Drug Bank Link -
ChemSpider Link 24605279
ChEMBL Link CHEMBL1242111
 
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