Compound Detail
CHEMBL520741
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(Sc2c[nH]c3cccc(OCC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)c23)cc1OC
Basic Information
| ChEMBL ID | CHEMBL520741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUUFBBCUYUGAGL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
573.5
MW (Da)
5.59
ALogP
8
HBA
2
HBD
106.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | IC50 | 8.8 | 8.415 | 1.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype | IC50 | = | 1.6 | nM | 8.8 | Displacement of [3H]PGE2 from human EP3 receptor in presence of 10% human serum | 19022669 |
| Prostaglandin E2 receptor EP3 subtype | IC50 | = | 9.3 | nM | 8.03 | Displacement of [3H]PGE2 from human EP3 receptor | 19022669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19022669 | 10.1016/j.bmcl.2008.11.007 | Unchecked | 5 |
| 19022669 | 10.1016/j.bmcl.2008.11.007 | Prostaglandin E2 receptor EP3 subtype | 2 |
Data from ChEMBL 36 via Core Engine