Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003491
Inhibitor ClassBiaryl
Molecule Name in Refrence Article19b compound
IUPAC Name4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
FormulaC30H32N4O3
Mass496.6001
Exact Mass496.2474409
Composition C (72.56%), H (6.49%), N (11.28%), O (9.67%)
Atom Count69
PI11.38
SmilesO=C(Nc1cc(ccc1)N1CCOCC1)c1ccc(C)c(c1)c1ccc2c(onc2C2CCNCC2)c1
InChI1S/C30H32N4O3/c1-20-5-6-23(30(35)32-24-3-2-4-25(19-24)34-13-15-36-16-14-34)17-27(20)22-7-8-26-28(18-
22)37-33-29(26)21-9-11-31-12-10-21/h2-8,17-19,21,31H,9-16H2,1H3,(H,32,35)
InChIKeyUVUGBBNUQBSROH-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 | Raf/Mek/Erk | LCK | ALL
Pub Chem Link 9983303
Drug Bank Link -
ChemSpider Link 8158893
ChEMBL Link CHEMBL485285
 
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