Compound Detail
CHEMBL255880
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Basic Information
| ChEMBL ID | CHEMBL255880 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJLJQTWZNKMEEY-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1206267 |
| Active Moiety | CHEMBL1206267 |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
320.8
MW (Da)
4.39
ALogP
4
HBA
1
HBD
55.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 11.0 | mL.min-1.g-1 | Rattus norvegicus |
| CL | 1.3 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 31.62 | nM | 7.5 | Displacement of [3H]PGE2 from human EP1 receptor expressed in CHOK1 cells | 18378447 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18378447 | 10.1016/j.bmcl.2008.03.018 | Liver | 2 |
| 18378447 | 10.1016/j.bmcl.2008.03.018 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine