Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004180
Inhibitor ClassIndolinone
Molecule Name in Refrence Article2 (BIBF1000)
IUPAC Namemethyl (3Z)-3-{[(4-{[(dimethylcarbamoyl)(methyl)amino]methyl}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
FormulaC28H28N4O4
Mass484.5463
Exact Mass484.2110554
Composition C (69.41%), H (5.82%), N (11.56%), O (13.21%)
Atom Count64
PI5.07
Smilesc1c(cc2c(c1)/C(=C(/c1ccccc1)Nc1ccc(cc1)CN(C(=O)N(C)C)C)/C(=O)N2)C(=O)OC
InChI1S/C28H28N4O4/c1-31(2)28(35)32(3)17-18-10-13-21(14-11-18)29-25(19-8-6-5-7-9-19)24-22-15-12-20(27(34)
36-4)16-23(22)30-26(24)33/h5-16,29H,17H2,1-4H3,(H,30,33)/b25-24-
InChIKeyDUZZUNRKDFGPSJ-IZHYLOQSSA-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
Reference19522465
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesCDK1 | CDK2 | CDK4 | IGF1R | InsR | Plk1 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 11565350
ChEMBL Link CHEMBL525203
 
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