Compound Detail
CHEMBL15039
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Basic Information
| ChEMBL ID | CHEMBL15039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVYDUAYNVQZALE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.5
MW (Da)
5.47
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.69
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of Prostaglandin G/H synthase 2 (COX-2). | 9544212 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2000.0 | nM | 5.7 | 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 | Prostaglandin G/H synthase 1 | 1 |
| 9544212 | 10.1021/jm970680p | Prostaglandin G/H synthase 2 | 1 |
| 9544212 | 10.1021/jm970680p | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine