Compound Detail
CHEMBL162324
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Basic Information
| ChEMBL ID | CHEMBL162324 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAOKFPFUIOEWQJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.8
MW (Da)
4.85
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL2977 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL4042 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of Prostaglandin G/H synthase 2 | - |
| Prostaglandin G/H synthase 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of Prostaglandin G/H synthase 1 using whole cell assay | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00100-X | Prostaglandin G/H synthase 2 | 1 |
| - | 10.1016/0960-894X(96)00100-X | Prostaglandin G/H synthase 1 | 1 |
| - | 10.1016/0960-894X(96)00100-X | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine