Compound Detail
CHEMBL4104333
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Basic Information
| ChEMBL ID | CHEMBL4104333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCVCFPMUVHCWGX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.96
ALogP
6
HBA
1
HBD
71.2
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype CHEMBL5068 | IC50 | 8.0 | 8.0 | 9.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 9.9 | nM | 8.0 | 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 | Prostaglandin E2 receptor EP1 subtype | 1 |
Data from ChEMBL 36 via Core Engine