Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003572
Inhibitor ClassDiselenobis-indole
Molecule Name in Refrence Article34 compound
IUPAC Name(2R)-2-amino-3-[2-({3-[(2S)-2-amino-2-(benzylcarbamoyl)ethyl]-1H-indol-2-yl}diselanyl)-1H-indol-3-yl]-N-benzylpropanamide
FormulaC36H36N6O2Se2
Mass742.63
Exact Mass744.1230181
Composition C (58.22%), H (4.89%), N (11.32%), O (4.31%), Se (21.26%)
Atom Count82
PI10.51
Smilesc1(c(c2c([nH]1)cccc2)C[C@@H](C(=O)NCc1ccccc1)N)[Se][Se]c1c(c2c([nH]1)cccc2)C[C@H](C(=O)NCc1ccccc1)N
InChI1S/C36H36N6O2Se2/c37-29(33(43)39-21-23-11-3-1-4-12-23)19-27-25-15-7-9-17-31(25)41-35(27)45-46-36-28(
26-16-8-10-18-32(26)42-36)20-30(38)34(44)40-22-24-13-5-2-6-14-24/h1-18,29-30,41-42H,19-22,37-38H2,(H
,39,43)(H,40,44)/t29-,30+
InChIKeyNHZUIHJUVWDGGV-RNPORBBMSA-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
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Reported activity against other enzymesPDGFr | v-src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 23212240
ChEMBL Link CHEMBL336409
 
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