Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002649
Inhibitor ClassDithiobis-indole
Molecule Name in Refrence Article10e compound
IUPAC Name3-(2-{[3-(2-carbamoylethyl)-1H-indol-2-yl]disulfanyl}-1H-indol-3-yl)propanamide
FormulaC22H22N4O2S2
Mass438.566
Exact Mass438.1184173
Composition C (60.25%), H (5.06%), N (12.77%), O (7.3%), S (14.62%)
Atom Count52
PI6.01
Smilesc1cccc2c1c(c([nH]2)SSc1c(c2c([nH]1)cccc2)CCC(=O)N)CCC(=O)N
InChI1S/C22H22N4O2S2/c23-19(27)11-9-15-13-5-1-3-7-17(13)25-21(15)29-30-22-16(10-12-20(24)28)14-6-2-4-8-18
(14)26-22/h1-8,25-26H,9-12H2,(H2,23,27)(H2,24,28)
InChIKeyHMHMZJJRNBZGQN-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
Reference7510340
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC |
Pub Chem Link 5328573
Drug Bank Link -
ChemSpider Link 4485737
ChEMBL Link CHEMBL157021
 
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