Compound Detail
CHEMBL553736
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Basic Information
| ChEMBL ID | CHEMBL553736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDMIZPSNYPSBJE-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1195020 |
| Active Moiety | CHEMBL1195020 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
331.5
MW (Da)
4.10
ALogP
5
HBA
1
HBD
62.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclooxygenase | IC50 | = | 450.0 | nM | 6.35 | Evaluated in vitro for its inhibitory activity against Prostaglandin G/H synthas... | 1433181 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 6800.0 | nM | 5.17 | Evaluated in vitro for its inhibitory activity against 5-lipoxygenase | 1433181 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433181 | 10.1021/jm00098a015 | Rattus norvegicus | 3 |
| 1433181 | 10.1021/jm00098a015 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 1433181 | 10.1021/jm00098a015 | Cyclooxygenase | 1 |
| 1433181 | 10.1021/jm00098a015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine