Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003213
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article14b compound
IUPAC Name8-[(5-methoxy-2-methylphenyl)amino]-2-{[2-(morpholin-4-yl)ethyl]amino}-3H-imidazo[4,5-g]quinoline-7-carbonitrile
FormulaC25H27N7O2
Mass457.5276
Exact Mass457.2226231
Composition C (65.63%), H (5.95%), N (21.43%), O (6.99%)
Atom Count61
PI9.5
Smilesn1c([nH]c2c1cc1c(Nc3cc(ccc3C)OC)c(C#N)cnc1c2)NCCN1CCOCC1
InChI1S/C25H27N7O2/c1-16-3-4-18(33-2)11-20(16)29-24-17(14-26)15-28-21-13-23-22(12-19(21)24)30-25(31-23)27
-5-6-32-7-9-34-10-8-32/h3-4,11-13,15H,5-10H2,1-2H3,(H,28,29)(H2,27,30,31)
InChIKeyWPYJUTQUGYKHKX-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 5330118
Drug Bank Link -
ChemSpider Link 4487269
ChEMBL Link CHEMBL329244
 
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