Compound Detail
CHEMBL15058
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Basic Information
| ChEMBL ID | CHEMBL15058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PGIRHMOXRXNJAD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
5.81
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.64
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Polyunsaturated fatty acid 5-lipoxygenase CHEMBL312 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of Prostaglandin G/H synthase 2 (COX-2). | 9544212 |
| Polyunsaturated fatty acid 5-lipoxygenase | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of 1-lipoxygenase (LOX)in RBL cells | 9544212 |
| Unchecked | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of potato tuber 5LOX by polarographic method | 20045317 |
| Prostaglandin G/H synthase 1 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of Prostaglandin G/H synthase 1 (COX-1). | 9544212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9544212 | 10.1021/jm970680p | Rattus norvegicus | 1 |
| 9544212 | 10.1021/jm970680p | Mus musculus | 1 |
| 9544212 | 10.1021/jm970680p | Prostaglandin G/H synthase 1 | 1 |
| 9544212 | 10.1021/jm970680p | Prostaglandin G/H synthase 2 | 1 |
| 9544212 | 10.1021/jm970680p | Polyunsaturated fatty acid 5-lipoxygenase | 1 |
| 9544212 | 10.1021/jm970680p | Cyclooxygenase | 1 |
| 20045317 | 10.1016/j.bmcl.2009.12.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine