Compound Detail
CHEMBL4441970
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Basic Information
| ChEMBL ID | CHEMBL4441970 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSNBFKKVERDHJL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
4.50
ALogP
4
HBA
0
HBD
44.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of human COX2 using arachidonic acid as substrate by colorimetric ass... | 30590258 |
| Prostaglandin G/H synthase 1 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of ovine COX1 using arachidonic acid as substrate by colorimetric ass... | 30590258 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30590258 | 10.1016/j.ejmech.2018.12.029 | Prostaglandin G/H synthase 1 | 2 |
| 30590258 | 10.1016/j.ejmech.2018.12.029 | Prostaglandin G/H synthase 2 | 2 |
Data from ChEMBL 36 via Core Engine