Compound Detail
CHEMBL549461
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Basic Information
| ChEMBL ID | CHEMBL549461 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMIHDKFZOCIOPZ-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.5
MW (Da)
3.83
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.03
IC50 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL4909 | EC50 | 7.03 | 7.03 | 94.0 | 1 |
| Prostaglandin E2 receptor EP2 subtype CHEMBL4909 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 94.0 | nM | 7.03 | Agonist activity against rat EP2 receptor expressed in HEK293 cells assessed as ... | 19250823 |
| Prostaglandin E2 receptor EP2 subtype | IC50 | = | 160.0 | nM | 6.8 | Inhibition of rat EP2 receptor expressed in HEK293 cells | 19250823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19250823 | 10.1016/j.bmcl.2009.01.059 | Prostaglandin E2 receptor EP2 subtype | 2 |
| 19250823 | 10.1016/j.bmcl.2009.01.059 | Prostaglandin E2 receptor EP4 subtype | 1 |
Data from ChEMBL 36 via Core Engine