Compound Detail
CHEMBL49918
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Basic Information
| ChEMBL ID | CHEMBL49918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NUSHRLJQJJMSGL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.3
MW (Da)
5.04
ALogP
4
HBA
0
HBD
56.3
PSA (Ų)
0.59
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 500.0 | nM | 6.3 | Inhibition of Prostaglandin G/H synthase 2 in human whole blood (HWB) assay | 10397507 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10397507 | 10.1016/s0960-894x(99)00264-4 | Prostaglandin G/H synthase 2 | 2 |
| 10397507 | 10.1016/s0960-894x(99)00264-4 | Prostaglandin G/H synthase 1 | 1 |
| 10397507 | 10.1016/s0960-894x(99)00264-4 | Cyclooxygenase | 1 |
Data from ChEMBL 36 via Core Engine