Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003502
Inhibitor ClassBiaryl
Molecule Name in Refrence Article18d compound
IUPAC NameN-[3-(3-amino-1,2-benzoxazol-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
FormulaC27H29N5O2
Mass455.5515
Exact Mass455.2321252
Composition C (71.19%), H (6.42%), N (15.37%), O (7.02%)
Atom Count63
PI10.02
Smilesc1(cc2c(cc1)c(no2)N)c1cc(ccc1C)NC(=O)c1ccc(cc1)CN1CCN(CC1)C
InChI1S/C27H29N5O2/c1-18-3-9-22(16-24(18)21-8-10-23-25(15-21)34-30-26(23)28)29-27(33)20-6-4-19(5-7-20)17-
32-13-11-31(2)12-14-32/h3-10,15-16H,11-14,17H2,1-2H3,(H2,28,30)(H,29,33)
InChIKeyBGLPZSPBYFJHQQ-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 | LCK | cFMS | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24708482
ChEMBL Link CHEMBL497353
 
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