Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000542
Inhibitor ClassQuercetin
Molecule Name in Refrence Article3m compound
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-carbamoylpropanoate
FormulaC24H24N2O11
Mass516.4542
Exact Mass516.1380096
Composition C (55.81%), H (4.68%), N (5.42%), O (34.08%)
Atom Count61
PI2.04
Smilesc12c(c(cc(c1)O)O)c(=O)c(c(o2)c1ccc(c(c1)O)O)OC(=O)[C@@H](NC(=O)OC(C)(C)C)CC(=O)N
InChI1S/C24H24N2O11/c1-24(2,3)37-23(34)26-12(9-17(25)31)22(33)36-21-19(32)18-15(30)7-11(27)8-16(18)35-20(
21)10-4-5-13(28)14(29)6-10/h4-8,12,27-30H,9H2,1-3H3,(H2,25,31)(H,26,34)/t12-/m0/s1
InChIKeyMWGFKZGIAGFVOI-LBPRGKRZSA-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
Reference19041163
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesSRC | Src | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24612575
ChEMBL Link CHEMBL539739
 
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