Compound Detail
CHEMBL467905
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Basic Information
| ChEMBL ID | CHEMBL467905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDHWEMULLOVCEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
0.55
ALogP
10
HBA
0
HBD
157.3
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 7700.0 | nM | 5.11 | Inhibition of human COX2 by enzyme immunoassay | 19419861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19419861 | 10.1016/j.bmcl.2009.04.059 | No relevant target | 2 |
| 19419861 | 10.1016/j.bmcl.2009.04.059 | Prostaglandin G/H synthase 1 | 1 |
| 19419861 | 10.1016/j.bmcl.2009.04.059 | Prostaglandin G/H synthase 2 | 1 |
| 19419861 | 10.1016/j.bmcl.2009.04.059 | Unchecked | 1 |
| 19419861 | 10.1016/j.bmcl.2009.04.059 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine