Compound Detail
CHEMBL320140
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Basic Information
| ChEMBL ID | CHEMBL320140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VYGRRQURXQHVSD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
388.3
MW (Da)
4.40
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 3 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL2977 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL4042 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of Prostaglandin G/H synthase 2 | - |
| Prostaglandin G/H synthase 2 | IC50 | = | 2500.0 | nM | 5.6 | In vitro inhibitory activity against human Prostaglandin G/H synthase 2 (66 nM) ... | 10956194 |
| Prostaglandin G/H synthase 1 | IC50 | = | 41000.0 | nM | 4.39 | 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 |
| 10956194 | 10.1021/jm000004e | Prostaglandin G/H synthase 2 | 1 |
| 10956194 | 10.1021/jm000004e | Prostaglandin G/H synthase 1 | 1 |
| 10956194 | 10.1021/jm000004e | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine