Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002188
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP452
IUPAC Name5-{4-amino-1-[(2R)-1-aminopropan-2-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol
FormulaC14H15ClN6O
Mass318.762
Exact Mass318.0995868
Composition C (52.75%), H (4.74%), Cl (11.12%), N (26.36%), O (5.02%)
Atom Count37
PI8.61
Smilesn1cnc2c(c1N)c(nn2[C@@H](CN)C)c1cc(c(cc1)Cl)O
InChI1S/C14H15ClN6O/c1-7(5-16)21-14-11(13(17)18-6-19-14)12(20-21)8-2-3-9(15)10(22)4-8/h2-4,6-7,22H,5,16H2
,1H3,(H2,17,18,19)/t7-/m1/s1
InChIKeyNVHKWMBHTXQWRP-SSDOTTSWSA-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 24905322
Drug Bank Link -
ChemSpider Link 24605136
ChEMBL Link CHEMBL1241579
 
TOP