Compound Detail
CHEMBL1099228
ZEAENOL Enter ChEMBL ID:
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COc1cc(O)c2c(c1)/C=C/C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O
Basic Information
| ChEMBL ID | CHEMBL1099228 |
| Name | ZEAENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPOLRDGTYHVUAY-YMFWJEOZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
1.39
ALogP
7
HBA
4
HBD
116.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 CHEMBL5776 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase kinase kinase 7 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of TAK1 (unknown origin) | 26481152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20429578 | 10.1021/np900853n | Plasmodium falciparum | 2 |
| 21513293 | 10.1021/np200062x | MCF7 | 1 |
| 21513293 | 10.1021/np200062x | NCI-H460 | 1 |
| 21513293 | 10.1021/np200062x | SF-268 | 1 |
| 21513293 | 10.1021/np200062x | HT-29 | 1 |
| 21513293 | 10.1021/np200062x | MDA-MB-435 | 1 |
| 21513293 | 10.1021/np200062x | Transcription factor p65 | 1 |
| 21513293 | 10.1021/np200062x | Escherichia coli | 1 |
| 21513293 | 10.1021/np200062x | Staphylococcus aureus | 1 |
| 21513293 | 10.1021/np200062x | Mycolicibacterium smegmatis | 1 |
| 21513293 | 10.1021/np200062x | Bacillus subtilis | 1 |
| 26273902 | 10.1021/acs.jnatprod.5b00286 | Drosophila | 1 |
| 26481152 | 10.1016/j.bmc.2015.09.037 | Mitogen-activated protein kinase kinase kinase 7 | 1 |
Data from ChEMBL 36 via Core Engine