Compound Detail
CHEMBL149945
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Basic Information
| ChEMBL ID | CHEMBL149945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQGDIVHGSPWZNB-NSCUHMNNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.0
MW (Da)
4.38
ALogP
3
HBA
1
HBD
46.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 11000.0 | nM | 4.96 | Inhibitory activity against 5-lipoxygenase in rat basophilic leukemia cells | 1847426 |
| Cyclooxygenase | IC50 | = | 16000.0 | nM | 4.8 | Inhibitory activity against cyclooxygenase in rat basophilic leukemia cells usin... | 1847426 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1847426 | 10.1021/jm00106a006 | Rattus norvegicus | 2 |
| 1847426 | 10.1021/jm00106a006 | Cyclooxygenase | 1 |
| 1847426 | 10.1021/jm00106a006 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine