Compound Detail
CHEMBL24837
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Basic Information
| ChEMBL ID | CHEMBL24837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFCKKPYXWBFRGZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
3.73
ALogP
5
HBA
2
HBD
80.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.55 | 6.235 | 280.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 280.0 | nM | 6.55 | Inhibitory concentration against human prostaglandin G/H synthase 2 | 11965379 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of COX2 in human whole blood assessed as effect on LPS-induced thromb... | 17994684 |
| Prostaglandin G/H synthase 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of COX1 in human whole blood assessed as effect on A23187-induced thr... | 17994684 |
| Prostaglandin G/H synthase 1 | IC50 | = | 86000.0 | nM | 4.07 | Inhibitory concentration against prostaglandin G/H synthase 1 | 11965379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17994684 | 10.1021/jm0611861 | Prostaglandin G/H synthase 1 | 5 |
| 17994684 | 10.1021/jm0611861 | Prostaglandin G/H synthase 2 | 4 |
| 11965379 | 10.1016/s0960-894x(02)00133-6 | Prostaglandin G/H synthase 1 | 1 |
| 11965379 | 10.1016/s0960-894x(02)00133-6 | Prostaglandin G/H synthase 2 | 1 |
| 11965379 | 10.1016/s0960-894x(02)00133-6 | Cyclooxygenase | 1 |
| 17994684 | 10.1021/jm0611861 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine