Compound Detail
CHEMBL516686
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COc1ccc(S(=O)(=O)c2c[nH]c3cccc(OCC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL516686 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVNAYMMOFZMQPA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
605.5
MW (Da)
4.27
ALogP
9
HBA
2
HBD
140.9
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | IC50 | 7.94 | 7.94 | 11.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | IC50 | = | 11.4 | nM | 7.94 | Displacement of [3H]PGE2 from human EP3 receptor | 19022669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19022669 | 10.1016/j.bmcl.2008.11.007 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine