Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003282
Inhibitor ClassIndolone
Molecule Name in Refrence Article12d compound
IUPAC Name5-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-N-[2-(diethylamino)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
FormulaC22H27BrN4O2
Mass459.379
Exact Mass458.1317388
Composition C (57.52%), H (5.92%), Br (17.39%), N (12.2%), O (6.97%)
Atom Count56
PI10.14
Smilesc1(c([nH]c(c1C)/C=C/1C(=O)Nc2c1cc(cc2)Br)C)C(=O)NCCN(CC)CC
InChI1S/C22H27BrN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17
)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
InChIKeyIVURVTQZRJNNOE-ATVHPVEESA-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
Reference12646019
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | PDGFR beta | FGFR1 | ALL
Pub Chem Link 5329104
Drug Bank Link -
ChemSpider Link 4486266
ChEMBL Link CHEMBL13629
 
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