Compound Detail
CHEMBL4514124
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CC(C)(C)C1CCC(CN(Cc2cccc(NCC(=O)O)n2)S(=O)(=O)c2cccnc2)CC1.Cl
Basic Information
| ChEMBL ID | CHEMBL4514124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ORMRPTOZFKDFDZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596631 |
| Active Moiety | CHEMBL4596631 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
4.02
ALogP
6
HBA
2
HBD
112.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype CHEMBL1881 | EC50 | 6.19 | 6.19 | 649.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP2 subtype | EC50 | = | 649.0 | nM | 6.19 | Agonist activity at recombinant human EP2 receptor expressed in HEK293 cells ass... | 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