Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0003120
Inhibitor ClassAnilino-quinoline
Molecule Name in Refrence Article20 compound
IUPAC Name4-[(2,4-dichloro-5-methoxyphenyl)amino]-6-methoxy-7-[(1E)-4-(4-methylpiperazin-1-yl)but-1-en-1-yl]quinoline-3-carbonitrile
FormulaC27H29Cl2N5O2
Mass526.457
Exact Mass525.1698306
Composition C (61.6%), H (5.55%), Cl (13.47%), N (13.3%), O (6.08%)
Atom Count65
PI12.06
SmilesC(#N)c1cnc2cc(/C=C/CCN3CCN(CC3)C)c(cc2c1Nc1cc(c(cc1Cl)Cl)OC)OC
InChI1S/C27H29Cl2N5O2/c1-33-8-10-34(11-9-33)7-5-4-6-18-12-23-20(13-25(18)35-2)27(19(16-30)17-31-23)32-24-
15-26(36-3)22(29)14-21(24)28/h4,6,12-15,17H,5,7-11H2,1-3H3,(H,31,32)/b6-4+
InChIKeyXTMQXGYZVJVLMD-GQCTYLIASA-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
Reference20363128
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesSrc | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24666923
ChEMBL Link CHEMBL1088240
 
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