Compound Detail
CHEMBL147165
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Basic Information
| ChEMBL ID | CHEMBL147165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCVDPDRPPMKLTE-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
3.14
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 6.85 | 6.5525 | 140.0 | 4 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.4 | 6.2575 | 400.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of COX1 in human whole blood assessed as inhibition of calcium ionoph... | 15615524 |
| Prostaglandin G/H synthase 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of COX1 in human whole blood | 19791801 |
| Prostaglandin G/H synthase 1 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of COX1 | 21413808 |
| Prostaglandin G/H synthase 2 | IC50 | = | 400.0 | nM | 6.4 | The inhibitory activity against cyclooxygenase Prostaglandin G/H synthase 2 (COX... | 12408728 |
| Prostaglandin G/H synthase 2 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of COX2 in human whole blood assessed as inhibition of LPS-stimulated... | 15615524 |
| Prostaglandin G/H synthase 2 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of COX2 in human whole blood | 19791801 |
| Prostaglandin G/H synthase 2 | IC50 | = | 620.0 | nM | 6.21 | Inhibition of COX2 | 21413808 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2200.0 | nM | 5.66 | The inhibitory activity against Prostaglandin G/H synthase 1 measured as TXB2 pr... | 12408728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15615524 | 10.1021/jm049480l | Rattus norvegicus | 3 |
| 12408728 | 10.1021/jm020920n | Rattus norvegicus | 2 |
| 15615524 | 10.1021/jm049480l | No relevant target | 2 |
| 12408728 | 10.1021/jm020920n | Prostaglandin G/H synthase 1 | 1 |
| 12408728 | 10.1021/jm020920n | Prostaglandin G/H synthase 2 | 1 |
| 12408728 | 10.1021/jm020920n | Cyclooxygenase | 1 |
| 15615524 | 10.1021/jm049480l | Prostaglandin G/H synthase 1 | 1 |
| 15615524 | 10.1021/jm049480l | Prostaglandin G/H synthase 2 | 1 |
| 15615524 | 10.1021/jm049480l | Unchecked | 1 |
| 19791801 | 10.1021/jm900702b | Prostaglandin G/H synthase 1 | 1 |
| 19791801 | 10.1021/jm900702b | Prostaglandin G/H synthase 2 | 1 |
| 19791801 | 10.1021/jm900702b | Unchecked | 1 |
| 21413808 | 10.1021/jm1013693 | Rattus norvegicus | 1 |
| 21413808 | 10.1021/jm1013693 | Prostaglandin G/H synthase 2 | 1 |
| 21413808 | 10.1021/jm1013693 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine