Compound Detail
CHEMBL568545
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Basic Information
| ChEMBL ID | CHEMBL568545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRYRXTPTQGLEIW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
381.2
MW (Da)
6.98
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 8.3 | 7.225 | 5.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 5.0 | nM | 8.3 | Displacement of [3H]PGH2 from human recombinant PGES1 expressed in CHOK1 cells | 19748780 |
| Prostaglandin E synthase | IC50 | = | 710.0 | nM | 6.15 | Inhibition of mPGES1 in IL-1-beta-stimulated human A549 cells assessed as blocka... | 19748780 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19748780 | 10.1016/j.bmcl.2009.08.085 | Prostaglandin E synthase | 2 |
Data from ChEMBL 36 via Core Engine