Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003496
Inhibitor ClassBiaryl
Molecule Name in Refrence Article6a compound
IUPAC NameN-cyclopropyl-4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
FormulaC21H21N3O2
Mass347.4103
Exact Mass347.1633769
Composition C (72.6%), H (6.09%), N (12.1%), O (9.21%)
Atom Count47
PI7.47
SmilesCc1oc(nn1)c1ccc(c(c1)C)c1cc(C(=O)NC2CC2)ccc1C
InChI1S/C21H21N3O2/c1-12-4-5-15(20(25)22-17-7-8-17)11-19(12)18-9-6-16(10-13(18)2)21-24-23-14(3)26-21/h4-6
,9-11,17H,7-8H2,1-3H3,(H,22,25)
InChIKeyUBVTVSINEVHYSY-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
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Reported activity against other enzymesJNK3 | LCK | CDK2 | cFMS | VEGFR2 | PLK1 | SGK1 | PBMC | HWB | Raf/Mek/Erk | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 8264585
ChEMBL Link CHEMBL522579
 
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