Compound Detail
CHEMBL307568
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Basic Information
| ChEMBL ID | CHEMBL307568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGCRJXZVXWNIEL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
2.28
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.41 | 6.24 | 390.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.3 | 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 | = | 390.0 | nM | 6.41 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 851.14 | nM | 6.07 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3669019 | 10.1021/jm00394a032 | Rattus norvegicus | 4 |
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 19821586 | 10.1021/jm900648x | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine