Compound Detail
CHEMBL321016
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Basic Information
| ChEMBL ID | CHEMBL321016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMZLLFAAVADZCJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
382.4
MW (Da)
2.91
ALogP
5
HBA
1
HBD
90.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.81 | 5.805 | 1540.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1540.0 | nM | 5.81 | Inhibitory activity against human Prostaglandin G/H synthase 2 | 10956225 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1584.89 | nM | 5.8 | Inhibition of human Prostaglandin G/H synthase 2 | 11563921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563921 | 10.1021/jm0101343 | Prostaglandin G/H synthase 2 | 1 |
| 10956225 | 10.1021/jm0000719 | Prostaglandin G/H synthase 2 | 1 |
| 10956225 | 10.1021/jm0000719 | Prostaglandin G/H synthase 1 | 1 |
| 10956225 | 10.1021/jm0000719 | Rattus norvegicus | 1 |
| 12383010 | 10.1021/jm020198t | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine