Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003564
Inhibitor ClassDiselenobis-indole
Molecule Name in Refrence Article23 compound
IUPAC NameN,1-dimethyl-2-{[1-methyl-3-(methylcarbamoyl)-1H-indol-2-yl]diselanyl}-1H-indole-3-carboxamide
FormulaC22H22N4O2Se2
Mass532.36
Exact Mass534.0073196
Composition C (49.63%), H (4.17%), N (10.52%), O (6.01%), Se (29.66%)
Atom Count52
PI5.89
Smilesc1(c(c2c(n1C)cccc2)C(=O)NC)[Se][Se]c1c(c2c(n1C)cccc2)C(=O)NC
InChI1S/C22H22N4O2Se2/c1-23-19(27)17-13-9-5-7-11-15(13)25(3)21(17)29-30-22-18(20(28)24-2)14-10-6-8-12-16(
14)26(22)4/h5-12H,1-4H3,(H,23,27)(H,24,28)
InChIKeyKKTAXCWCKSLCHF-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 4485267
ChEMBL Link CHEMBL137422
 
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