Compound Detail
CHEMBL2403527
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Basic Information
| ChEMBL ID | CHEMBL2403527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLSHIJIKLYYKRO-JWGURIENSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
4.61
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL4102 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL2949 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of ovine COX-2 assessed as using arachidonic acid as substrate preinc... | 23735281 |
| Prostaglandin G/H synthase 1 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of ovine COX-1 assessed as using arachidonic acid as substrate preinc... | 23735281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23735281 | 10.1016/j.ejmech.2013.04.062 | PC-3 | 3 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | Prostaglandin G/H synthase 1 | 2 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | Prostaglandin G/H synthase 2 | 2 |
| 23735281 | 10.1016/j.ejmech.2013.04.062 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine