5Z-7-oxozeaenol

Ligand id: 8077

Name: 5Z-7-oxozeaenol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 1
Topological polar surface area 113.29
Molecular weight 362.14
XLogP 1.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2E,5S,6S,8Z,11S)-5,6,15-trihydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaene-7,13-dione
Synonyms
(5Z)-7-oxozeaenol | FR-148083 [1] | LL-Z1640-2
Database Links
CAS Registry No. 66018-38-0
ChEMBL Ligand CHEMBL1077979
PubChem CID 9863776
RCSB PDB Ligand 1FM
Search Google for chemical match using the InChIKey NEQZWEXWOFPKOT-BYRRXHGESA-N
Search Google for chemicals with the same backbone NEQZWEXWOFPKOT
Search UniChem for chemical match using the InChIKey NEQZWEXWOFPKOT-BYRRXHGESA-N
Search UniChem for chemicals with the same backbone NEQZWEXWOFPKOT
SynPHARM 81146 (in complex with mitogen-activated protein kinase kinase kinase 7)
Comments
5Z-7-oxozeaenol is a cell-permeable fungal resorcylic lactone. 5Z-7-oxozeaenol acts as a selective and potent inhibitor of mitogen-activated protein kinase kinase kinase 7 (TAK1). This compound binds covalently/irreversibly and inhibits both the ATPase and kinase activity of TAK1 [4].