Compound Detail
CHEMBL72807
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Basic Information
| ChEMBL ID | CHEMBL72807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBPNNDQNWJYZGC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.3
MW (Da)
2.90
ALogP
7
HBA
2
HBD
98.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 CHEMBL2622 | IC50 | 7.35 | 7.35 | 44.7 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aldo-keto reductase family 1 member B1 | IC50 | = | 44.67 | nM | 7.35 | Inhibition of rat lens aldose reductase | 18585047 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 430.0 | nM | 6.37 | Ability to inhibit 5-lipoxygenase in rat basophilic leukemia cells. | 3783588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783588 | 10.1021/jm00161a021 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 18585047 | 10.1016/j.bmc.2008.06.004 | Aldo-keto reductase family 1 member B1 | 1 |
Data from ChEMBL 36 via Core Engine