Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004124
Inhibitor ClassAlternaria(Extract)
Molecule Name in Refrence Article15 compound
IUPAC Name(1S,12aR,12bS)-1,4,9,12a-tetrahydroxy-1,2,3,10,11,12,12a,12b-octahydroperylene-3,10-dione
FormulaC20H16O6
Mass352.3374
Exact Mass352.0946882
Composition C (68.18%), H (4.58%), O (27.25%)
Atom Count42
PI3.24
Smilesc1cc2c3ccc(c4c3[C@H]([C@]3(c2c(c1O)C(=O)CC3)O)[C@H](CC4=O)O)O
InChI1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,
14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
InChIKeyGJIALGLHOBXNAT-KPOBHBOGSA-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
Reference18494522
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesARK5 | Aurora A | Aurora B | B-RAF-VE | CDK4/CycD1 | COT | EPHB4 | FAK | FLT3 | IGF1R | InsR | MET | PDGFR beta | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL
Pub Chem Link 104860
Drug Bank Link -
ChemSpider Link 94648
ChEMBL Link CHEMBL521470
 
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