Compound Detail
CHEMBL304647
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Basic Information
| ChEMBL ID | CHEMBL304647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMKXKBIIWWXELN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.65
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 1900.0 | nM | 5.72 | In vitro inhibition of 5-lipoxygenase pathway in rat basophilic leukemia (RBL-1)... | 2113951 |
| Cyclooxygenase | IC50 | = | 3300.0 | nM | 5.48 | In vitro inhibition of Prostaglandin G/H synthase pathway in rat basophilic leuk... | 2113951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2113951 | 10.1021/jm00169a035 | Cyclooxygenase | 1 |
| 2113951 | 10.1021/jm00169a035 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 2113951 | 10.1021/jm00169a035 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine