Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003566
Inhibitor ClassDiselenobis-indole
Molecule Name in Refrence Article25 compound
IUPAC NameN-methyl-2-{[3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide
FormulaC20H18N4O2Se2
Mass504.3
Exact Mass505.9760195
Composition C (47.63%), H (3.6%), N (11.11%), O (6.35%), Se (31.31%)
Atom Count46
PI4.03
Smilesc1(c(c2c([nH]1)cccc2)C(=O)NC)[Se][Se]c1c(c2c([nH]1)cccc2)C(=O)NC
InChI1S/C20H18N4O2Se2/c1-21-17(25)15-11-7-3-5-9-13(11)23-19(15)27-28-20-16(18(26)22-2)12-8-4-6-10-14(12)2
4-20/h3-10,23-24H,1-2H3,(H,21,25)(H,22,26)
InChIKeySSIOMHJBYZEOEK-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
Reference9046331
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesv-src | PDGFr | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4485269
ChEMBL Link CHEMBL135861
 
TOP