Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002404
Inhibitor ClassQuinoline
Molecule Name in Refrence ArticleOSI-906
IUPAC Name(1s,3r)-3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
FormulaC26H23N5O
Mass421.4937
Exact Mass421.1902604
Composition C (74.09%), H (5.5%), N (16.62%), O (3.8%)
Atom Count55
PI10.62
Smilesn1ccn2c(c1N)c(nc2[C@@H]1C[C@@](C1)(O)C)c1cc2c(cc1)ccc(n2)c1ccccc1
InChI1S/C26H23N5O/c1-26(32)14-19(15-26)25-30-22(23-24(27)28-11-12-31(23)25)18-8-7-17-9-10-20(29-21(17)13-
18)16-5-3-2-4-6-16/h2-13,19,32H,14-15H2,1H3,(H2,27,28)/t19-,26+
InChIKeyPKCDDUHJAFVJJB-VLZXCDOPSA-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
Reference20346655
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymes
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 21391708
ChEMBL Link CHEMBL1091644
 
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