Compound Detail
CHEMBL322015
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Basic Information
| ChEMBL ID | CHEMBL322015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHQACTUZFHCQLS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
4.68
ALogP
5
HBA
2
HBD
58.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL4028 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Cyclooxygenase CHEMBL2094253 | IC50 | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 1400.0 | nM | 5.85 | Inhibitory activity against the production of thromboxane B2 (TXB2) in glycogen-... | 7932529 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 7000.0 | nM | 5.16 | Inhibitory activity against the production of leukotriene B4 (LTB4) in glycogen-... | 7932529 |
| Cyclooxygenase | IC50 | = | 9600.0 | nM | 5.02 | Inhibitory activity against the production of prostaglandin E2 (PGE2) in glycoge... | 7932529 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932529 | 10.1021/jm00045a011 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 7932529 | 10.1021/jm00045a011 | Thromboxane-A synthase | 1 |
| 7932529 | 10.1021/jm00045a011 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine