Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002133
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP152
IUPAC Name4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorobenzaldehyde
FormulaC15H14FN5O
Mass299.303
Exact Mass299.1182383
Composition C (60.19%), H (4.71%), F (6.35%), N (23.4%), O (5.35%)
Atom Count36
PI13.13
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(c(cc1)C=O)F
InChI1S/C15H14FN5O/c1-8(2)21-15-12(14(17)18-7-19-15)13(20-21)9-3-4-10(6-22)11(16)5-9/h3-8H,1-2H3,(H2,17,1
8,19)
InChIKeyCMUZPNXYCOKJJJ-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 24905238
Drug Bank Link -
ChemSpider Link 24605221
ChEMBL Link CHEMBL1241860
 
TOP