Compound Detail
CHEMBL1288905
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Basic Information
| ChEMBL ID | CHEMBL1288905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEOKACDFDSLENU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.2
MW (Da)
4.38
ALogP
2
HBA
1
HBD
52.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
| Unchecked | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of mPGES1 | 20965723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20965723 | 10.1016/j.bmcl.2010.09.129 | Unchecked | 1 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine