Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003216
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article20b compound
IUPAC Name8-[(5-methoxy-2-methylphenyl)amino]-3-[2-(morpholin-4-yl)ethyl]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
FormulaC25H26N6O2
Mass442.5129
Exact Mass442.2117241
Composition C (67.86%), H (5.92%), N (18.99%), O (7.23%)
Atom Count59
PI11.97
Smilesc1(c2c(cc3n(cnc3c2)CCN2CCOCC2)ncc1C#N)Nc1cc(ccc1C)OC
InChI1S/C25H26N6O2/c1-17-3-4-19(32-2)11-21(17)29-25-18(14-26)15-27-22-13-24-23(12-20(22)25)28-16-31(24)6-
5-30-7-9-33-10-8-30/h3-4,11-13,15-16H,5-10H2,1-2H3,(H,27,29)
InChIKeyQZNNCWRNJVXQIQ-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
Reference12217371
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSrc |
Pub Chem Link 5330121
Drug Bank Link -
ChemSpider Link 4487272
ChEMBL Link CHEMBL92729
 
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