Compound Detail
CHEMBL3262712
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Basic Information
| ChEMBL ID | CHEMBL3262712 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTDSAQPXSGERTE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.8
MW (Da)
5.29
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 4.85 | 4.85 | 14230.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 4.65 | 4.65 | 22230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 14230.0 | nM | 4.85 | Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 10... | 24763362 |
| Prostaglandin G/H synthase 1 | IC50 | = | 22230.0 | nM | 4.65 | Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 10... | 24763362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Prostaglandin G/H synthase 1 | 2 |
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Prostaglandin G/H synthase 2 | 2 |
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Rattus norvegicus | 2 |
| 24763362 | 10.1016/j.ejmech.2014.04.033 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine