Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002192
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP463
IUPAC Name5-{4-amino-1-cyclobutyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol
FormulaC15H14ClN5O
Mass315.758
Exact Mass315.0886878
Composition C (57.06%), H (4.47%), Cl (11.23%), N (22.18%), O (5.07%)
Atom Count36
PI7.03
Smilesn1cnc2c(c1N)c(nn2C1CCC1)c1cc(c(cc1)Cl)O
InChI1S/C15H14ClN5O/c16-10-5-4-8(6-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-2-1-3-9/h4-7,9,22H,1-3H2
,(H2,17,18,19)
InChIKeyVEORWCZDRQSGJH-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 24905326
Drug Bank Link -
ChemSpider Link 24605132
ChEMBL Link CHEMBL1241580
 
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