Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0000537
Inhibitor ClassQuercetin
Molecule Name in Refrence Article3h compound
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoate
FormulaC29H27NO10
Mass549.5254
Exact Mass549.1634961
Composition C (63.38%), H (4.95%), N (2.55%), O (29.11%)
Atom Count67
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)Cc1ccccc1
InChI1S/C29H27NO10/c1-29(2,3)40-28(37)30-18(11-15-7-5-4-6-8-15)27(36)39-26-24(35)23-21(34)13-17(31)14-22(
23)38-25(26)16-9-10-19(32)20(33)12-16/h4-10,12-14,18,31-34H,11H2,1-3H3,(H,30,37)/t18-/m0/s1
InChIKeyFPTSGAAACQGSOW-SFHVURJKSA-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 |
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24621988
ChEMBL Link CHEMBL557882
 
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