Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002172
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP389
IUPAC Name5-{4-amino-1-[(3R)-pyrrolidin-3-ylmethyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-chlorophenol
FormulaC16H17ClN6O
Mass344.799
Exact Mass344.1152369
Composition C (55.73%), H (4.97%), Cl (10.28%), N (24.37%), O (4.64%)
Atom Count41
PI9.42
Smilesn1cnc2c(c1N)c(nn2C[C@H]1CNCC1)c1cc(c(cc1)Cl)O
InChI1S/C16H17ClN6O/c17-11-2-1-10(5-12(11)24)14-13-15(18)20-8-21-16(13)23(22-14)7-9-3-4-19-6-9/h1-2,5,8-9
,19,24H,3-4,6-7H2,(H2,18,20,21)/t9-/m1/s1
InChIKeyYJNVZAXZUDOAAI-SECBINFHSA-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 -
Drug Bank Link -
ChemSpider Link 24605153
ChEMBL Link CHEMBL1241770
 
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