Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003267
Inhibitor ClassIso-quinolinone
Molecule Name in Refrence Article20 compound
IUPAC Name2-[(2,6-dichlorophenyl)amino]-6,7-dimethyl-1H,8H,9H-imidazo[4,5-h]isoquinolin-9-one
FormulaC18H14Cl2N4O
Mass373.236
Exact Mass372.0544665
Composition C (57.92%), H (3.78%), Cl (19%), N (15.01%), O (4.29%)
Atom Count39
PI6.8
Smilesc12c(c([nH]c(=O)c1c1c(cc2)nc([nH]1)Nc1c(Cl)cccc1Cl)C)C
InChI1S/C18H14Cl2N4O/c1-8-9(2)21-17(25)14-10(8)6-7-13-16(14)24-18(22-13)23-15-11(19)4-3-5-12(15)20/h3-7H,
1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyYDEDKRCWCCZXBE-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
Reference12139450 | 12166950 |
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesZAP70 | Syk | c-Src | Lck | ALL
Pub Chem Link 10248747
Drug Bank Link -
ChemSpider Link 8424234
ChEMBL Link CHEMBL27085
 
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