Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002083
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence Article PP38
IUPAC NameN-{3-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}methanesulfonamide
FormulaC15H18N6O2S
Mass346.407
Exact Mass346.1211945
Composition C (52.01%), H (5.24%), N (24.26%), O (9.24%), S (9.26%)
Atom Count42
PI7.99
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc(ccc1)NS(=O)(=O)C
InChI1S/C15H18N6O2S/c1-9(2)21-15-12(14(16)17-8-18-15)13(19-21)10-5-4-6-11(7-10)20-24(3,22)23/h4-9,20H,1-3
H3,(H2,16,17,18)
InChIKeySSVLAVRFVKSIND-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
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Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link 24905159
Drug Bank Link -
ChemSpider Link 24605302
ChEMBL Link CHEMBL1241948
 
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