Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002122
Inhibitor ClassPyrazolo-pyrimidine
Molecule Name in Refrence ArticlePP140
IUPAC Name6-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-dihydroquinolin-2-one
FormulaC17H16N6O
Mass320.3485
Exact Mass320.1385592
Composition C (63.74%), H (5.03%), N (26.23%), O (4.99%)
Atom Count40
PI10.08
Smilesn1cnc2c(c1N)c(nn2C(C)C)c1cc2c(cc1)[nH]c(=O)cc2
InChI1S/C17H16N6O/c1-9(2)23-17-14(16(18)19-8-20-17)15(22-23)11-3-5-12-10(7-11)4-6-13(24)21-12/h3-9H,1-2H3
,(H,21,24)(H2,18,19,20)
InChIKeyTVPWCFIAQIHELW-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 24905226
Drug Bank Link -
ChemSpider Link 24605233
ChEMBL Link CHEMBL1241863
 
TOP