Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002186
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP432
IUPAC Name5-{4-amino-1-[(3S)-oxolan-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenol
FormulaC15H14FN5O2
Mass315.3024
Exact Mass315.1131529
Composition C (57.14%), H (4.48%), F (6.03%), N (22.21%), O (10.15%)
Atom Count37
PI7.26
Smilesn1cnc2c(c1N)c(nn2[C@H]1CCOC1)c1cc(c(cc1)F)O
InChI1S/C15H14FN5O2/c16-10-2-1-8(5-11(10)22)13-12-14(17)18-7-19-15(12)21(20-13)9-3-4-23-6-9/h1-2,5,7,9,22
H,3-4,6H2,(H2,17,18,19)/t9-/m0/s1
InChIKeyMRZVUZUMBCEAGI-VIFPVBQESA-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 24905319
Drug Bank Link -
ChemSpider Link 24605139
ChEMBL Link CHEMBL1242748
 
TOP