Compound Detail
CHEMBL2024226
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Basic Information
| ChEMBL ID | CHEMBL2024226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMRMYYXVNUPSSC-IPPBACCNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.7
MW (Da)
7.72
ALogP
3
HBA
0
HBD
30.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.5 | 5.5 | 3200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3200.0 | nM | 5.5 | Inhibition of ovine COX2 by enzyme immuno assay | 22516672 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22516672 | 10.1016/j.bmc.2012.03.044 | Rattus norvegicus | 3 |
| 22516672 | 10.1016/j.bmc.2012.03.044 | Prostaglandin G/H synthase 2 | 2 |
| 22516672 | 10.1016/j.bmc.2012.03.044 | Prostaglandin G/H synthase 1 | 1 |
| 22516672 | 10.1016/j.bmc.2012.03.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine