Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003492
Inhibitor ClassBiaryl
Molecule Name in Refrence Article6b compound
IUPAC Name4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-[3-(morpholin-4-yl)phenyl]benzamide
FormulaC28H28N4O3
Mass468.5469
Exact Mass468.2161408
Composition C (71.78%), H (6.02%), N (11.96%), O (10.24%)
Atom Count63
PI6.82
Smilesc1(ccc(cc1C)c1nnc(o1)C)c1cc(ccc1C)C(=O)Nc1cc(ccc1)N1CCOCC1
InChI1S/C28H28N4O3/c1-18-7-8-21(27(33)29-23-5-4-6-24(17-23)32-11-13-34-14-12-32)16-26(18)25-10-9-22(15-19
(25)2)28-31-30-20(3)35-28/h4-10,15-17H,11-14H2,1-3H3,(H,29,33)
InChIKeyNCEXHVFUAONAAE-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
Reference18789685
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesJNK3 | CDK2 | PLK1 | SGK1 | Raf/Mek/Erk | VEGFR2 | cFMS | LCK | ALL
Pub Chem Link 44580420
Drug Bank Link -
ChemSpider Link 24719049
ChEMBL Link CHEMBL523559
 
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