Compound Detail
CHEMBL12681
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Basic Information
| ChEMBL ID | CHEMBL12681 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBUBGCBNETYVPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
3.32
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 7.19 | 7.19 | 65.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 65.0 | nM | 7.19 | Inhibition of [14C]arachidonic acid conversion to 5-HETE by broken cell 5-lipoxy... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80241-3 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| - | 10.1016/S0960-894X(00)80241-3 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine