Compound Detail
CHEMBL228695
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Basic Information
| ChEMBL ID | CHEMBL228695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BYHNVNJAGUEUDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
467.9
MW (Da)
7.54
ALogP
3
HBA
1
HBD
51.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Cmax | 220.0 | nM | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 6.31 | nM | 8.2 | Displacement of [3H]PGE2 from human recombinant EP1 receptor expressed in CHOK1 ... | 17175160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17175160 | 10.1016/j.bmcl.2006.11.059 | Rattus norvegicus | 3 |
| 17175160 | 10.1016/j.bmcl.2006.11.059 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine