General
Preferred name
(5Z)-7-Oxozeaenol
Synonyms
5Z-7-oxozeaenol ()
FR148083 ()
L783279 ()
LL-Z 1640-2 ()
P&D ID
PD015661
CAS
66018-38-0
253863-19-3
Tags
covalent binder
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 5Z-7-Oxozeaenol is a natural anti-protozoan compound from fungal origin, acting as a potent irreversible and selective inhibitor of TAK1 and VEGF-R2, with IC50s of 8 nM and 52 nM, respectively.
DESCRIPTION 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 . (GtoPdb)
Cell lines
13
Organisms
0
Compound Sets
9
Cayman Chemical Bioactives
17459
CovalentInDB
CI000299
CZ-OPENSCREEN Bioactive Library
Guide to Pharmacology
8077
Kinase Inhibitors (best-in-class)
LINCS compound set
10356-101
MedChem Express Bioactive Compound Library
HY-12686
Welcome Trust Cancer Drugs
1242
ZINC Tool Compounds
ZINC000014852066
External IDs
20
Properties
(calculated by RDKit )
Molecular Weight
362.14
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
3
Rotatable Bonds
1
Ring Count
2
Aromatic Ring Count
1
cLogP
1.6
TPSA
113.29
Fraction CSP3
0.37
Chiral centers
3.0
Largest ring
14.0
QED
0.65
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
TAK1 (MAP3K7)
TAK1
antibiotic
MAP3K
VEGFR
Known off targets
MEKK1, MEKK4, NF-kB, JNK/p38
Kinase group
TKL
Pathway
Anti-infection
MAPK/ERK Pathway
Protein Tyrosine Kinase/RTK
Source data