Compound Detail
CHEMBL109745
DARBUFELONE MESYLATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL109745 |
| Name | DARBUFELONE MESYLATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAZGFSKJAVQJJI-CHHCPSLASA-N |
| Parent Compound | CHEMBL275835 |
| Active Moiety | CHEMBL275835 |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
3
Known Names
Molecular Properties
332.5
MW (Da)
4.13
ALogP
4
HBA
3
HBD
73.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL1293198 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Cyclooxygenase CHEMBL2095157 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL3334 | IC50 | 4.42 | 4.42 | 37600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of COX-2 in rabbit peripheral venous blood assessed as formation of 1... | 21055929 |
| Cyclooxygenase | IC50 | = | 390.0 | nM | 6.41 | Inhibition of prostaglandin G/H synthase in intact rat basophilic leukemia cells... | 8295221 |
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | Inhibition of 5-LOX in rabbit peripheral venous blood assessed as formation of L... | 21055929 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 770.0 | nM | 6.11 | Inhibition of 5-lipoxygenase in intact rat basophilic leukemia cells stimulated ... | 8295221 |
| Prostaglandin G/H synthase 1 | IC50 | = | 37600.0 | nM | 4.42 | Inhibition of COX-1 in rabbit peripheral venous blood assessed as formation of 1... | 21055929 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Rattus norvegicus | 4 |
| 8295221 | 10.1021/jm00028a017 | Rattus norvegicus | 3 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Unchecked | 2 |
| 8295221 | 10.1021/jm00028a017 | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 8295221 | 10.1021/jm00028a017 | Cyclooxygenase | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Prostaglandin G/H synthase 1 | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Prostaglandin G/H synthase 2 | 1 |
| 21055929 | 10.1016/j.bmcl.2010.10.056 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine