Compound Detail
CHEMBL565992
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O=C(COc1cccc2ncn(Cc3ccc(Cl)cc3Cl)c12)NS(=O)(=O)c1cc(Cl)c(Cl)s1
Basic Information
| ChEMBL ID | CHEMBL565992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQXGWLGUUVXOJO-UHFFFAOYSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
565.3
MW (Da)
5.64
ALogP
7
HBA
1
HBD
90.3
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | IC50 | 8.96 | 8.34 | 1.1 | 3 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 5.32 | 5.32 | 4832.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | IC50 | 5.23 | 5.23 | 5875.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 5.1 | 5.1 | 7959.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | IC50 | 4.99 | 4.99 | 10172.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19957930 | 10.1021/jm9005912 | Unchecked | 5 |
| 19957930 | 10.1021/jm9005912 | Prostaglandin E2 receptor EP3 subtype | 5 |
| 19957930 | 10.1021/jm9005912 | Prostacyclin receptor | 1 |
| 19957930 | 10.1021/jm9005912 | Prostaglandin E2 receptor EP4 subtype | 1 |
| 19957930 | 10.1021/jm9005912 | Prostaglandin E2 receptor EP2 subtype | 1 |
| 19957930 | 10.1021/jm9005912 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine