Epidermal Growth Factor Receptor Inhibitor Database


General Property
Molceule ID (DB)EGIN0004414
Inhibitor ClassUnknown
Molecule Name in Refrence ArticleCochliobolic acid (1)
IUPAC Name(2R,3R,5S)-3-hydroxy-5-[(1E,3E,5E,7E,9E,11E,15E,17R)-17-methyl-13,14-dioxononadeca-1,3,5,7,9,11,15-heptaen-1-yl]oxolane-2-carboxylic acid
FormulaC25H30O6
Mass426.5021
Exact Mass426.2042387
Composition C (70.4%), H (7.09%), O (22.51%)
Atom Count61
PI0.28
SmilesCC[C@H](/C=C/C(=O)C(=O)/C=C/C=C/C=C/C=C/C=C/C=C/[C@H]1O[C@H]([C@@H](C1)O)C(=O)O)C
InChI1S/C25H30O6/c1-3-19(2)16-17-22(27)21(26)15-13-11-9-7-5-4-6-8-10-12-14-20-18-23(28)24(31-20)25(29)30/
h4-17,19-20,23-24,28H,3,18H2,1-2H3,(H,29,30)/b6-4+,7-5+,10-8+,11-9+,14-12+,15-13+,17-16+/t19-,20-,23
-,24-/m1/s1
InChIKeyUWFRQOWLUPERFN-MRHYXYNBSA-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
Reference9014347
Compounds from ReferenceOther compounds from reference
Find Similar Compounds
                                   

Reported activity against other enzymesNo activity data against other kinases present in database
Pub Chem Link -
Drug Bank Link -
ChemSpider Link 4952792 8246655
ChEMBL Link -
 
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