Compound Detail
CHEMBL565799
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Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)NS(=O)(=O)c3cc(Cl)c(Cl)s3)cc(F)cc12
Basic Information
| ChEMBL ID | CHEMBL565799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIZNWXUSWJBZEM-CMDGGOBGSA-N |
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
573.5
MW (Da)
7.18
ALogP
5
HBA
1
HBD
68.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP3 subtype CHEMBL4336 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Prostaglandin E2 receptor EP3 subtype CHEMBL3710 | IC50 | 8.15 | 7.9133 | 7.0 | 3 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Prostaglandin E2 receptor EP4 subtype CHEMBL1836 | IC50 | 5.44 | 5.44 | 3647.0 | 1 |
| Prostacyclin receptor CHEMBL1995 | IC50 | 5.05 | 5.05 | 8823.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | IC50 | 4.48 | 4.48 | 32921.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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