Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002942
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article19 compound
IUPAC Name5,6-bis(cyclohexylamino)-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC20H27N3O2
Mass341.4473
Exact Mass341.2103271
Composition C (70.35%), H (7.97%), N (12.31%), O (9.37%)
Atom Count52
PI6.18
SmilesN1C(=O)c2c(C1=O)cc(c(c2)NC1CCCCC1)NC1CCCCC1
InChI1S/C20H27N3O2/c24-19-15-11-17(21-13-7-3-1-4-8-13)18(12-16(15)20(25)23-19)22-14-9-5-2-6-10-14/h11-14,
21-22H,1-10H2,(H,23,24,25)
InChIKeyXRWICMQUHCDJPG-UHFFFAOYSA-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
Reference8151612
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesRKC | c-Src | EGFR | v-ab1 | PKA | ALL
Pub Chem Link 10450005
Drug Bank Link -
ChemSpider Link 8625422
ChEMBL Link CHEMBL266969
 
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