Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003796
Inhibitor ClassIndolinone
Molecule Name in Refrence Article9b compound
IUPAC Name3-(2-{[(3Z)-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
FormulaC17H15BrN2O3
Mass375.217
Exact Mass374.026605
Composition C (54.42%), H (4.03%), Br (21.3%), N (7.47%), O (12.79%)
Atom Count38
PI0.99
SmilesC1(=C/c2c(c(c[nH]2)C)CCC(=O)O)/C(=O)Nc2c1cc(cc2)Br
InChI1S/C17H15BrN2O3/c1-9-8-19-15(11(9)3-5-16(21)22)7-13-12-6-10(18)2-4-14(12)20-17(13)23/h2,4,6-8,19H,3,
5H2,1H3,(H,20,23)(H,21,22)/b13-7-
InChIKeyMLCYRSPCPRZKNI-QPEQYQDCSA-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
Reference10602697
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesVEGFR2 | PDGFR beta | FGFR1 | ALL
Pub Chem Link 5329135
Drug Bank Link -
ChemSpider Link 4486297
ChEMBL Link CHEMBL148744
 
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