Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003214
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article17 compound
IUPAC Name2-(morpholin-4-ylmethyl)-8-[(3,4,5-trimethoxyphenyl)amino]-3H-imidazo[4,5-g]quinoline-7-carbonitrile
FormulaC25H26N6O4
Mass474.5117
Exact Mass474.2015534
Composition C (63.28%), H (5.52%), N (17.71%), O (13.49%)
Atom Count61
PI8.16
Smilesn1c([nH]c2c1cc1c(c(C#N)cnc1c2)Nc1cc(c(c(c1)OC)OC)OC)CN1CCOCC1
InChI1S/C25H26N6O4/c1-32-21-8-16(9-22(33-2)25(21)34-3)28-24-15(12-26)13-27-18-11-20-19(10-17(18)24)29-23(
30-20)14-31-4-6-35-7-5-31/h8-11,13H,4-7,14H2,1-3H3,(H,27,28)(H,29,30)
InChIKeyXSYYWJFYCMWCAC-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 5330119
Drug Bank Link -
ChemSpider Link 4487270
ChEMBL Link CHEMBL330657
 
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