Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004118
Inhibitor ClassAlternaria(Extract)
Molecule Name in Refrence Article2 compound
IUPAC Name{3,7-dihydroxy-1-methyl-6-oxo-6H-benzo[c]chromen-9-yl}oxidanesulfonic acid
FormulaC14H10O8S
Mass338.289
Exact Mass338.009638
Composition C (49.71%), H (2.98%), O (37.84%), S (9.48%)
Atom Count33
PINo isoelectric point.
Smilesc1(cc(c2c(c1)oc(=O)c1c2cc(cc1O)OS(=O)(=O)O)C)O
InChI1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,
18,19,20)
InChIKeyIOBDCMVQCAWFQQ-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
Reference18494522
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesARK5 | Aurora A | Aurora B | B-RAF-VE | CDK2/CycA | CDK4/CycD1 | CK2 alpha1 | COT | EPHB4 | FAK | FLT3 | IGF1R | InsR | MET | PDGFR beta | PLK1 | SAK | SRC | TIE2 | VEGFR2 | VEGFR3 | ALL
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 24699951
ChEMBL Link CHEMBL483525
 
TOP