Compound Detail
CHEMBL395284
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Basic Information
| ChEMBL ID | CHEMBL395284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MORZRGQFHFKBML-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
467.3
MW (Da)
6.96
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 7.7 | 7.7 | 19.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 46.0 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.2 | 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 | = | 19.95 | nM | 7.7 | Inhibition of human EP1 receptor | 17084082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17084082 | 10.1016/j.bmcl.2006.10.041 | Rattus norvegicus | 3 |
| 17084082 | 10.1016/j.bmcl.2006.10.041 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 17084082 | 10.1016/j.bmcl.2006.10.041 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine