Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004170
Inhibitor ClassAnthraquinone
Molecule Name in Refrence Article1 compound
IUPAC Name1,2,8-trihydroxy-6-methoxy-3-methyl-9,10-dihydroanthracene-9,10-dione
FormulaC16H12O6
Mass300.2629
Exact Mass300.0633881
Composition C (64%), H (4.03%), O (31.97%)
Atom Count34
PI1.99
Smilesc1(cc(O)c2c(c1)C(=O)c1c(C2=O)c(c(c(c1)C)O)O)OC
InChI1S/C16H12O6/c1-6-3-8-12(16(21)13(6)18)15(20)11-9(14(8)19)4-7(22-2)5-10(11)17/h3-5,17-18,21H,1-2H3
InChIKeyIOPGGNYCFGEWPF-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
Reference19271717
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesAurora A | Aurora B | CDK4/CycD1 | COT | FLT3 | IGF1R | InsR | MET | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 154505
ChEMBL Link CHEMBL556684
 
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