Compound Detail
CHEMBL4085914
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Basic Information
| ChEMBL ID | CHEMBL4085914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BHLFQIMEGBJYDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.9
MW (Da)
3.97
ALogP
6
HBA
1
HBD
71.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL5068 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 4480.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 3.79 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.678 | hr | Rattus norvegicus |
| Vd | 0.184 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 1.1 | nM | 8.96 | Antagonist activity at rat EP1 receptor expressed in African green monkey COS1 c... | 28483455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28483455 | 10.1016/j.bmc.2017.04.028 | Rattus norvegicus | 6 |
| 28483455 | 10.1016/j.bmc.2017.04.028 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 28483455 | 10.1016/j.bmc.2017.04.028 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine