Compound Detail
CHEMBL128236
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Basic Information
| ChEMBL ID | CHEMBL128236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHXPSCAUADFFLC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.33
ALogP
4
HBA
2
HBD
57.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 123000.0 | nM | Rattus norvegicus |
| Tmax | 2.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 32000.0 | nM | 4.5 | Inhibition of 5-lipoxygenase catalysis in rat basophilic leukemia (RBL) cells by... | 8831760 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8831760 | 10.1021/jm960372b | Rattus norvegicus | 2 |
| 8831760 | 10.1021/jm960372b | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine