Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003886
Inhibitor ClassIndolinone
Molecule Name in Refrence Article4d compound
IUPAC Name(3Z)-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-2,3-dihydro-1H-indole-5-carboxylic acid
FormulaC18H16N2O3
Mass308.3312
Exact Mass308.1160924
Composition C (70.12%), H (5.23%), N (9.09%), O (15.57%)
Atom Count39
PI0.99
SmilesC1(=C/c2[nH]c3c(c2)CCCC3)/C(=O)Nc2c1cc(C(=O)O)cc2
InChI1S/C18H16N2O3/c21-17-14(9-12-7-10-3-1-2-4-15(10)19-12)13-8-11(18(22)23)5-6-16(13)20-17/h5-9,19H,1-4H
2,(H,20,21)(H,22,23)/b14-9-
InChIKeyCKNQIKAQBWDTIP-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
Reference10893303
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesPDGFR beta | p60c-Src | VEGFR2 | FGFR1 | ALL
Pub Chem Link 5329157
Drug Bank Link -
ChemSpider Link 4486319
ChEMBL Link CHEMBL89010
 
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