Compound Detail
CHEMBL521286
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Basic Information
| ChEMBL ID | CHEMBL521286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUJMYBVVKPOWGD-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
430.8
MW (Da)
6.73
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 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 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mPGES1 | 18459759 |
| Prostaglandin E synthase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mPGES1 | 20144869 |
| Prostaglandin E synthase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mPGES-1 (unknown origin) using PGH2 as substrate assessed as PGE2 ... | 23260349 |
| Prostaglandin E synthase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18459759 | 10.1021/jm800197b | Unchecked | 1 |
| 20144869 | 10.1016/j.bmcl.2010.01.060 | Prostaglandin E synthase | 1 |
| 23260349 | 10.1016/j.bmcl.2012.11.109 | Prostaglandin E synthase | 1 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine