Compound Detail
CHEMBL3921251
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Basic Information
| ChEMBL ID | CHEMBL3921251 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLYXIKWGNOINFG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.9
MW (Da)
4.73
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL2046261 | IC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 790.0 | nM | 6.1 | Inhibition of mPGES-1 in mouse RAW264.7 cells assessed as reduction in LPS-induc... | 27720548 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Prostaglandin E synthase | 2 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Mus musculus | 1 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Prostaglandin G/H synthase 1 | 1 |
| 27720548 | 10.1016/j.bmcl.2016.09.070 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine