Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003500
Inhibitor ClassBiaryl
Molecule Name in Refrence Article6d compound
IUPAC NameN-{4-methyl-3-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide
FormulaC30H33N5O2
Mass495.6153
Exact Mass495.2634253
Composition C (72.7%), H (6.71%), N (14.13%), O (6.46%)
Atom Count70
PI10.02
Smilesc1(ccc(cc1C)c1nnc(o1)C)c1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C
InChI1S/C30H33N5O2/c1-20-5-11-26(18-28(20)27-12-10-25(17-21(27)2)30-33-32-22(3)37-30)31-29(36)24-8-6-23(7
-9-24)19-35-15-13-34(4)14-16-35/h5-12,17-18H,13-16,19H2,1-4H3,(H,31,36)
InChIKeyHSCYIVKNKNXHIF-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 | VEGFR2 | PLK1 | SGK1 | cFMS | LCK | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24708339
ChEMBL Link CHEMBL497350
 
TOP