Compound Detail
CHEMBL1683210
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Basic Information
| ChEMBL ID | CHEMBL1683210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZIYWSQZVGOHTE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
5.97
ALogP
1
HBA
1
HBD
32.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 9.0 | 8.2667 | 1.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of mPGES1 | 21295979 |
| Prostaglandin E synthase | IC50 | = | 1.0 | nM | 9.0 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
| Prostaglandin E synthase | IC50 | = | 160.0 | nM | 6.8 | Inhibition of mPGES1 in IL1-beta treated human A549 cell microsome assessed as i... | 21295979 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21295979 | 10.1016/j.bmcl.2011.01.006 | Prostaglandin E synthase | 2 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine