Compound Detail
CHEMBL4847404
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Basic Information
| ChEMBL ID | CHEMBL4847404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGLWEROZDOLMJL-CIAFOILYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.03
ALogP
7
HBA
2
HBD
96.2
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 7.27 | 7.27 | 54.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.67 | 5.67 | 2120.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.95 | 4.95 | 11300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 54.0 | nM | 7.27 | Inhibition of human recombinant COX-2 using arachidonic acid as substrate preinc... | 33892270 |
| Unchecked | IC50 | = | 2120.0 | nM | 5.67 | Inhibition of soybean 15-LOX using arachidonic acid or linolenic acid as substra... | 33892270 |
| Prostaglandin G/H synthase 1 | IC50 | = | 11300.0 | nM | 4.95 | Inhibition of ovine COX-1 using arachidonic acid as substrate preincubated with ... | 33892270 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33892270 | 10.1016/j.ejmech.2021.113457 | RAW264.7 | 6 |
| 33892270 | 10.1016/j.ejmech.2021.113457 | Prostaglandin G/H synthase 2 | 2 |
| 33892270 | 10.1016/j.ejmech.2021.113457 | Unchecked | 2 |
| 33892270 | 10.1016/j.ejmech.2021.113457 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine