Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002115
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP133
IUPAC Name2-{4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenol
FormulaC11H9N5O
Mass227.2221
Exact Mass227.0807099
Composition C (58.14%), H (3.99%), N (30.82%), O (7.04%)
Atom Count26
PI7.52
Smilesn1cnc2c(c1N)c(n[nH]2)c1c(cccc1)O
InChI1S/C11H9N5O/c12-10-8-9(6-3-1-2-4-7(6)17)15-16-11(8)14-5-13-10/h1-5,17H,(H3,12,13,14,15,16)
InChIKeySPCDTCWCGHTEOV-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 -
Drug Bank Link -
ChemSpider Link 24605201
ChEMBL Link CHEMBL1242209
 
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