Compound Detail
CHEMBL1289055
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Basic Information
| ChEMBL ID | CHEMBL1289055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTDKSHVYJKSKBJ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.3
MW (Da)
5.98
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E synthase CHEMBL5658 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.4 | 7.26 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of mPGES1 | 20965723 |
| Prostaglandin E synthase | IC50 | = | 4.0 | nM | 8.4 | Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membrane... | 26088337 |
| Unchecked | IC50 | = | 64.0 | nM | 7.19 | Inhibition of mPGES1 mediated PGE2 production in IL1-beta stimulated human A549 ... | 20965723 |
| Unchecked | IC50 | = | 640.0 | nM | 6.19 | Inhibition of mPGES1 mediated PGE2 production in IL1-beta stimulated human A549 ... | 20965723 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20965723 | 10.1016/j.bmcl.2010.09.129 | Unchecked | 3 |
| 26088337 | 10.1016/j.bmc.2015.05.045 | Prostaglandin E synthase | 1 |
Data from ChEMBL 36 via Core Engine