Compound Detail
CHEMBL4129545
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Basic Information
| ChEMBL ID | CHEMBL4129545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKAVNJPOQSRMTB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
4
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
4.93
ALogP
5
HBA
1
HBD
68.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 111.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 48.0 | mL.min-1.kg-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 | = | 12.0 | nM | 7.92 | Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay | 29934246 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29934246 | 10.1016/j.bmcl.2018.06.022 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 29934246 | 10.1016/j.bmcl.2018.06.022 | Rattus norvegicus | 1 |
| 29934246 | 10.1016/j.bmcl.2018.06.022 | Homo sapiens | 1 |
| 29934246 | 10.1016/j.bmcl.2018.06.022 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine