Compound Detail
CHEMBL93598
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Basic Information
| ChEMBL ID | CHEMBL93598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWBKZDYKYDPKBM-UIRNWIAESA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.37
ALogP
6
HBA
1
HBD
72.8
PSA (Ų)
0.24
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.1 | 5.78 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibitory activity against 5-Lipoxygenase in rat by Peritoneal 5-lipox... | 2213827 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 3500.0 | nM | 5.46 | Iin vitro inhibition of 5-lipoxygenase activity in rat basophil leukemia type 1(... | 2213827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213827 | 10.1021/jm00172a010 | Polyunsaturated fatty acid 5-lipoxygenase | 2 |
| 2213827 | 10.1021/jm00172a010 | Cyclooxygenase | 1 |
| 2213827 | 10.1021/jm00172a010 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine