Compound Detail
CHEMBL48092
PIRMAGREL 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL48092 |
| Name | PIRMAGREL |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LIFOFTJHFFTNRV-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
3
Known Names
Molecular Properties
232.3
MW (Da)
2.52
ALogP
3
HBA
1
HBD
54.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.52 | 8.505 | 3.0 | 2 |
| Cyclooxygenase CHEMBL2094253 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
| Prostacyclin synthase CHEMBL4428 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibition of thromboxane synthase | - |
| Thromboxane-A synthase | IC50 | = | 3.2 | nM | 8.49 | In vitro inhibitory activity against thromboxane A2 synthetase with lysed human ... | 3918169 |
| Cyclooxygenase | IC50 | = | 10000.0 | nM | 5.0 | In vitro inhibitory activity against Prostaglandin G/H synthase | 3918169 |
| Prostacyclin synthase | IC50 | = | 100000.0 | nM | 4.0 | In vitro inhibitory activity against prostacyclin synthetase | 3918169 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1016/S0960-894X(01)80103-7 | Thromboxane-A synthase | 1 |
| - | 10.1016/S0960-894X(01)80103-7 | Thromboxane A2 receptor | 1 |
| 3918169 | 10.1021/jm00380a003 | Thromboxane-A synthase | 1 |
| 3918169 | 10.1021/jm00380a003 | No relevant target | 1 |
| 3918169 | 10.1021/jm00380a003 | Prostacyclin synthase | 1 |
| 3918169 | 10.1021/jm00380a003 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine