Compound Detail
CHEMBL5275045
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Basic Information
| ChEMBL ID | CHEMBL5275045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZHPMCXUYDLUON-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.05
ALogP
10
HBA
2
HBD
132.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospholipase A2, membrane associated CHEMBL3474 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 5.37 | 1000.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.96 | 5.905 | 1110.0 | 2 |
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.9 | 4.9 | 12560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospholipase A2, membrane associated | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human sPLA2-V | 36325400 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human recombinant sPLA2-V | 37862815 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1110.0 | nM | 5.96 | Inhibition of COX-2 (unknown origin) by Enzyme immune assay | 37862815 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of ovine COX-2 | 36325400 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of COX-2 (unknown origin) | 36696764 |
| Prostaglandin G/H synthase 1 | IC50 | = | 12560.0 | nM | 4.9 | Inhibition of ovine COX-1 | 36325400 |
| Unchecked | IC50 | = | 18400.0 | nM | 4.74 | Inhibition of soybean 15-LOX | 36325400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36325400 | 10.1039/d2md00192f | Unchecked | 2 |
| 36325400 | 10.1039/d2md00192f | Rattus norvegicus | 2 |
| 36325400 | 10.1039/d2md00192f | RAW264.7 | 2 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Rattus norvegicus | 2 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | RAW264.7 | 2 |
| 36325400 | 10.1039/d2md00192f | Prostaglandin G/H synthase 1 | 1 |
| 36325400 | 10.1039/d2md00192f | Prostaglandin G/H synthase 2 | 1 |
| 36325400 | 10.1039/d2md00192f | Phospholipase A2, membrane associated | 1 |
| 36696764 | 10.1016/j.ejmech.2023.115138 | Prostaglandin G/H synthase 2 | 1 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Prostaglandin G/H synthase 2 | 1 |
| 37862815 | 10.1016/j.ejmech.2023.115866 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine