Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003494
Inhibitor ClassBiaryl
Molecule Name in Refrence Article6c compound
IUPAC NameN-{4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}-2-(pyrrolidin-1-yl)pyridine-4-carboxamide
FormulaC27H27N5O2
Mass453.5356
Exact Mass453.2164751
Composition C (71.5%), H (6%), N (15.44%), O (7.06%)
Atom Count61
PI7.65
Smilesc1(ccc(cc1C)c1nnc(o1)C)c1cc(ccc1C)NC(=O)c1cc(ncc1)N1CCCC1
InChI1S/C27H27N5O2/c1-17-6-8-22(29-26(33)20-10-11-28-25(15-20)32-12-4-5-13-32)16-24(17)23-9-7-21(14-18(23
)2)27-31-30-19(3)34-27/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,33)
InChIKeyOBHNTFJGFUEQCQ-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 | cFMS | VEGFR2 | PLK1 | SGK1 | PBMC | LCK | Raf/Mek/Erk | HWB | ALL
Pub Chem Link 10479082
Drug Bank Link -
ChemSpider Link 8654490
ChEMBL Link CHEMBL495729
 
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