Compound Detail
CHEMBL5569710
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Basic Information
| ChEMBL ID | CHEMBL5569710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCOIWKZLSWINMZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
5.11
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.63
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| Platelet CHEMBL4296519 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | IC50 | = | 230.0 | nM | 6.64 | Inhibition of ovine COX-1 by colorimetric assay | 38219659 |
| Platelet | IC50 | = | 1000.0 | nM | 6.0 | Antiplatelet activity in human platelets assessed as inhibition of arachidonic a... | 38219659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 1 | 2 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Platelet | 2 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Plasma | 2 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Prostaglandin G/H synthase 2 | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Unchecked | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | ADMET | 1 |
| 38219659 | 10.1016/j.ejmech.2024.116135 | Erythrocyte | 1 |
Data from ChEMBL 36 via Core Engine