Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000530
Inhibitor ClassQuercetin
Molecule Name in Refrence Article3a compound
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-4-methylpentanoate
FormulaC26H29NO10
Mass515.5092
Exact Mass515.1791462
Composition C (60.58%), H (5.67%), N (2.72%), O (31.04%)
Atom Count66
PINo isoelectric point.
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(C)C
InChI1S/C26H29NO10/c1-12(2)8-15(27-25(34)37-26(3,4)5)24(33)36-23-21(32)20-18(31)10-14(28)11-19(20)35-22(2
3)13-6-7-16(29)17(30)9-13/h6-7,9-12,15,28-31H,8H2,1-5H3,(H,27,34)/t15-/m0/s1
InChIKeyBGUXPSFPYQBUCW-HNNXBMFYSA-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 24619111
ChEMBL Link CHEMBL551352
 
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