Compound Detail
CHEMBL5274645
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Basic Information
| ChEMBL ID | CHEMBL5274645 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKVCTOBWIAGOMR-ACCUITESSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
4.40
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Zingiber officinale CHEMBL2366941 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Zingiber officinale | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of prostaglandin biosynthesis in ginger | 33422907 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of 5-LOX in human neutrophils assessed as reduction in 5-HETE formati... | 33422907 |
| Unchecked | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of COX in bovine seminal vesicle assessed as reduction in PGE2 produc... | 33422907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422907 | 10.1016/j.bmc.2020.115971 | HUVEC | 4 |
| 33422907 | 10.1016/j.bmc.2020.115971 | Mus musculus | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | Unchecked | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | Zingiber officinale | 1 |
Data from ChEMBL 36 via Core Engine