Compound Detail
CHEMBL395311
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CS(=O)(=O)c1ccc(OCc2ccc(F)cc2)c(C2=C(c3cccc(C(=O)O)c3)CCC2)c1
Basic Information
| ChEMBL ID | CHEMBL395311 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBRMWSFMRRCRHE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.5
MW (Da)
5.60
ALogP
4
HBA
1
HBD
80.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 7.1 | 7.1 | 79.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 79.43 | nM | 7.1 | Inhibition of human EP1 receptor | 17084082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17084082 | 10.1016/j.bmcl.2006.10.041 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 17084082 | 10.1016/j.bmcl.2006.10.041 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine