Compound Detail
CHEMBL2046483
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Basic Information
| ChEMBL ID | CHEMBL2046483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUSWBXVOIDRDJK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
5.96
ALogP
4
HBA
1
HBD
64.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 6.75 | 6.75 | 180.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of mPGES-1 derived from IL1beta and TNFalpha stimulated human HeLa ce... | 22449023 |
| Prostaglandin E synthase | IC50 | = | 180.0 | nM | 6.75 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22449023 | 10.1021/jm201687d | Prostaglandin E synthase | 6 |
| 22449023 | 10.1021/jm201687d | 5-lipoxygenase/FLAP | 5 |
| 22449023 | 10.1021/jm201687d | Prostaglandin G/H synthase 2 | 3 |
| 22449023 | 10.1021/jm201687d | Prostaglandin G/H synthase 1 | 3 |
| 22449023 | 10.1021/jm201687d | HeLa | 2 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine