Compound Detail
CHEMBL4443289
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CC(C)(C)c1ccc(CN(Cc2cccc3oc(C(=O)O)cc23)S(=O)(=O)c2cccnc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4443289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKWQYPAFJGALJT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
5.21
ALogP
5
HBA
1
HBD
100.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]prostaglandin E2 from human EP2 receptor expressed in HEK293... | 29995405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29995405 | 10.1021/acs.jmedchem.8b00808 | Prostaglandin E2 receptor EP2 subtype | 1 |
Data from ChEMBL 36 via Core Engine