Compound Detail
CHEMBL1958348
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Basic Information
| ChEMBL ID | CHEMBL1958348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BENNDTBUIUJRDT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.3
MW (Da)
2.37
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of ovine COX1 | 22148253 |
| Prostaglandin G/H synthase 2 | IC50 | = | 380.0 | nM | 6.42 | Inhibition of human recombinant COX2 | 22148253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22148253 | 10.1021/jm200973j | Prostaglandin G/H synthase 1 | 2 |
| 22148253 | 10.1021/jm200973j | Prostaglandin G/H synthase 2 | 2 |
| 22148253 | 10.1021/jm200973j | Rattus norvegicus | 2 |
| 22148253 | 10.1021/jm200973j | No relevant target | 1 |
| 22148253 | 10.1021/jm200973j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine