Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002135
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP155
IUPAC Name4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-hydroxybenzonitrile
FormulaC15H14N6O
Mass294.3113
Exact Mass294.1229091
Composition C (61.21%), H (4.79%), N (28.55%), O (5.44%)
Atom Count36
PI7.1
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)C#N)O
InChI1S/C15H14N6O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-10(6-16)11(22)5-9/h3-5,7-8,22H,1-2H3,(H
2,17,18,19)
InChIKeyDHYADLCEAXMYPS-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
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905240
Drug Bank Link -
ChemSpider Link 24605219
ChEMBL Link CHEMBL1241944
 
TOP