Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003565
Inhibitor ClassDiselenobis-indole
Molecule Name in Refrence Article24 compound
IUPAC NameN-[2-(diethylamino)ethyl]-2-[(3-{[2-(diethylamino)ethyl]carbamoyl}-1-methyl-1H-indol-2-yl)diselanyl]-1-methyl-1H-indole-3-carboxamide
FormulaC32H44N6O2Se2
Mass702.65
Exact Mass704.1856183
Composition C (54.7%), H (6.31%), N (11.96%), O (4.55%), Se (22.47%)
Atom Count86
PI11.25
Smilesc1(c(c2c(n1C)cccc2)C(=O)NCCN(CC)CC)[Se][Se]c1c(c2c(n1C)cccc2)C(=O)NCCN(CC)CC
InChI1S/C32H44N6O2Se2/c1-7-37(8-2)21-19-33-29(39)27-23-15-11-13-17-25(23)35(5)31(27)41-42-32-28(24-16-12-
14-18-26(24)36(32)6)30(40)34-20-22-38(9-3)10-4/h11-18H,7-10,19-22H2,1-6H3,(H,33,39)(H,34,40)
InChIKeyXZTHVVIRCUVGRE-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 4485268
ChEMBL Link CHEMBL263666
 
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