Compound Detail
CHEMBL129818
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Basic Information
| ChEMBL ID | CHEMBL129818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JAUBABGVZIISMG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
191.2
MW (Da)
1.11
ALogP
2
HBA
2
HBD
44.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL215 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 141000.0 | 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 | = | 5800.0 | nM | 5.24 | In vitro 5-lipoxygenase inhibitory activity against calcium ionophore (A23187) i... | 8831760 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 11000.0 | nM | 4.96 | 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 | 3 |
| 8831760 | 10.1021/jm960372b | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
Data from ChEMBL 36 via Core Engine