Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0002932
Inhibitor ClassDianilino-phthalimide
Molecule Name in Refrence Article9 compound
IUPAC Name5,6-bis[(4-iodophenyl)amino]-2,3-dihydro-1H-isoindole-1,3-dione
FormulaC20H13I2N3O2
Mass581.1451
Exact Mass580.9097135
Composition C (41.33%), H (2.25%), I (43.67%), N (7.23%), O (5.51%)
Atom Count40
PI3.77
SmilesN1C(=O)c2c(C1=O)cc(c(c2)Nc1ccc(I)cc1)Nc1ccc(I)cc1
InChI1S/C20H13I2N3O2/c21-11-1-5-13(6-2-11)23-17-9-15-16(20(27)25-19(15)26)10-18(17)24-14-7-3-12(22)4-8-14
/h1-10,23-24H,(H,25,26,27)
InChIKeyPZKMVVUAVPOFPD-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 enzymesEGFR | PKA | RKC | ALL
Pub Chem Link 10325906
Drug Bank Link -
ChemSpider Link 8501368
ChEMBL Link CHEMBL8163
 
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