Compound Detail
CHEMBL274587
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Basic Information
| ChEMBL ID | CHEMBL274587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCJUIADWUOKEND-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
270.3
MW (Da)
2.81
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 7.29 | 7.29 | 51.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 51.0 | nM | 7.29 | Concentration required for 50% inhibition against Prostaglandin G/H synthase 1 f... | 10841807 |
| Prostaglandin G/H synthase 2 | IC50 | = | 300.0 | nM | 6.52 | Concentration required for 50% inhibition against Prostaglandin G/H synthase 2 f... | 10841807 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3114493 | 10.1021/jm00392a024 | Cavia porcellus | 5 |
| 3114493 | 10.1021/jm00392a024 | Rattus norvegicus | 4 |
| 10841807 | 10.1021/jm9906217 | Prostaglandin G/H synthase 2 | 1 |
| 10841807 | 10.1021/jm9906217 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine