Compound Detail
CHEMBL212471
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Cc1ccc(-c2cc(Br)ccc2OCc2ccc(C(F)(F)F)cc2F)n1-c1cccc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL212471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUOFEIQJWDSTDD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
548.3
MW (Da)
7.65
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 12.59 | nM | 7.9 | Inhibition of [3H]PGE2 binding to EP1 receptor expressed in CHO cells | 16697196 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16697196 | 10.1016/j.bmcl.2006.04.073 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine