Compound Detail
CHEMBL260111
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Basic Information
| ChEMBL ID | CHEMBL260111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGVIWQRWYMJWCJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
279.7
MW (Da)
3.85
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4321 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of purified mouse COX-2 assessed as inhibition of PGE2-G/PGD2-G forma... | 24060487 |
| Unchecked | IC50 | = | 54.0 | nM | 7.27 | Inhibition of mouse COX2 V349I mutant 20 mins preincubated before addition of [1... | 17434872 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17434872 | 10.1074/jbc.m609883200 | Prostaglandin G/H synthase 2 | 3 |
| 17434872 | 10.1074/jbc.m609883200 | Unchecked | 3 |
| 24060487 | 10.1016/j.bmcl.2013.08.097 | Prostaglandin G/H synthase 2 | 3 |
| 17434872 | 10.1074/jbc.m609883200 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine