Compound Detail
CHEMBL65654
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Basic Information
| ChEMBL ID | CHEMBL65654 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMSGKDCPRDOWJK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
3.74
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 7.22 | 7.205 | 60.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 60.26 | nM | 7.22 | Logarithmic value of inhibitory concentration against 5-lipoxygenase in rat baso... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibitory activity against 5-lipoxygenase in rat RBL-1 cells | 3669019 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 64.0 | nM | 7.19 | In vitro inhibitory activity against 5-lipoxygenase in rat basophilic leukemia c... | 2308149 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 64.0 | nM | 7.19 | In vitro inhibitory activity against RBL-1 5-LO | 3820229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2308149 | 10.1021/jm00165a017 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 3669019 | 10.1021/jm00394a032 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 3669019 | 10.1021/jm00394a032 | Rattus norvegicus | 1 |
| 3820229 | 10.1021/jm00386a022 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
Data from ChEMBL 36 via Core Engine