Compound Detail
CHEMBL2315870
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Basic Information
| ChEMBL ID | CHEMBL2315870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSGKNRRFRFSUAK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
361.9
MW (Da)
4.15
ALogP
4
HBA
1
HBD
58.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 5.78 | 5.775 | 1680.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E synthase | IC50 | = | 1680.0 | nM | 5.78 | Inhibition of human recombinant mPGES-1 using PGH2 as substrate incubated 20 min... | 23266122 |
| Prostaglandin E synthase | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of human mPGES1 by ELISA | 23298810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23298810 | 10.1016/j.bmcl.2012.11.107 | Prostaglandin E synthase | 2 |
| 23266122 | 10.1016/j.bmcl.2012.10.040 | Prostaglandin E synthase | 1 |
| 23298810 | 10.1016/j.bmcl.2012.11.107 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine