Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000290
Inhibitor ClassQuinoline
Molecule Name in Refrence Article15 compound
IUPAC Namemethyl 2-[3-(3-chlorophenyl)-5-hydroxy-7-methoxy-4-oxo-1,4-dihydroquinolin-1-yl]acetate
FormulaC19H16ClNO5
Mass373.787
Exact Mass373.0717003
Composition C (61.05%), H (4.31%), Cl (9.48%), N (3.75%), O (21.4%)
Atom Count42
PI3.42
Smilesc1c2c(c(cc1OC)O)c(=O)c(cn2CC(=O)OC)c1cc(ccc1)Cl
InChI1S/C19H16ClNO5/c1-25-13-7-15-18(16(22)8-13)19(24)14(9-21(15)10-17(23)26-2)11-4-3-5-12(20)6-11/h3-9,2
2H,10H2,1-2H3
InChIKeyCXCSYLLGUQWHHQ-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
Reference10090785
Compounds from ReferenceOther compounds from reference
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Reported activity against other enzymesc-Src | v-Abl | PKC alpha | v-Abl | c-Src | PKC-R | ALL
Pub Chem Link 10499619
Drug Bank Link -
ChemSpider Link 8675020
ChEMBL Link CHEMBL7866
 
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