Compound Detail
CHEMBL434173
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Basic Information
| ChEMBL ID | CHEMBL434173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVILSLBAZNNJIT-VCDOQTMRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
3.02
ALogP
5
HBA
5
HBD
110.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Prostaglandin E2 receptor EP1 subtype CHEMBL1811 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 90.0 | nM | 7.05 | Affinity for human Prostanoid FP receptor expressed in COS-7 cells | 10715159 |
| Prostaglandin E2 receptor EP1 subtype | IC50 | = | 5000.0 | nM | 5.3 | Affinity for Prostanoid EP1 receptor expressed in COS-7 cells. | 10715159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10715159 | 10.1021/jm990542v | Prostaglandin F2-alpha receptor | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP1 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP2 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP3 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin E2 receptor EP4 subtype | 1 |
| 10715159 | 10.1021/jm990542v | Thromboxane A2 receptor | 1 |
| 10715159 | 10.1021/jm990542v | Prostaglandin D2 receptor | 1 |
| 10715159 | 10.1021/jm990542v | Prostacyclin receptor | 1 |
Data from ChEMBL 36 via Core Engine