Compound Detail
CHEMBL361504
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Basic Information
| ChEMBL ID | CHEMBL361504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXTWADCRLRQMDW-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
4.57
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 7.3 | 7.3 | 50.0 | 2 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.83 | 5.83 | 1490.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 50.0 | nM | 7.3 | In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human ... | 15369392 |
| Prostaglandin G/H synthase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of human platelet COX1 by whole blood assay | 24531199 |
| Prostaglandin G/H synthase 1 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of ovine COX-1 | 38219659 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1490.0 | nM | 5.83 | In vitro inhibitory concentration against Prostaglandin G/H synthase 2 in human ... | 15369392 |
| Prostaglandin G/H synthase 2 | IC50 | = | 1490.0 | nM | 5.83 | Inhibition of human monocyte COX2 by whole blood assay | 24531199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15369392 | 10.1021/jm040782x | Prostaglandin G/H synthase 1 | 1 |
| 15369392 | 10.1021/jm040782x | Prostaglandin G/H synthase 2 | 1 |
| 24531199 | 10.1016/j.ejmech.2013.12.023 | Prostaglandin G/H synthase 2 | 1 |
| 24531199 | 10.1016/j.ejmech.2013.12.023 | Prostaglandin G/H synthase 1 | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Unchecked | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 1 | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine