Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003725
Inhibitor ClassIndolinone
Molecule Name in Refrence Article43 compound
IUPAC Namemethyl 3-(4-methyl-5-{[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)propanoate
FormulaC18H18N2O3
Mass310.3471
Exact Mass310.1317425
Composition C (69.66%), H (5.85%), N (9.03%), O (15.47%)
Atom Count41
PI4.6
SmilesC1(=C/c2[nH]cc(c2C)CCC(=O)OC)/C(=O)Nc2c1cccc2
InChI1S/C18H18N2O3/c1-11-12(7-8-17(21)23-2)10-19-16(11)9-14-13-5-3-4-6-15(13)20-18(14)22/h3-6,9-10,19H,7-
8H2,1-2H3,(H,20,22)/b14-9-
InChIKeyVRMXPMBMTRWBBB-ZROIWOOFSA-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
Reference9651163
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesIGF1R | FLK-1 | PDGFR | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 8390515
ChEMBL Link CHEMBL316009
 
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