Compound Detail
CHEMBL134546
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CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCC[PH](=O)O)[C@@H](O)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL134546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVGLHCULUVOTRL-LYDKCQJDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
374.5
MW (Da)
3.04
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.24
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 6.94 | 6.94 | 114.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 114.0 | nM | 6.94 | In vitro binding at FP human prostaglandin receptor using [3H]PGF-2 alpha as rad... | 11708917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708917 | 10.1021/jm010264b | Prostaglandin F2-alpha receptor | 1 |
| 11708917 | 10.1021/jm010264b | Prostaglandin E2 receptor EP1 subtype | 1 |
| 11708917 | 10.1021/jm010264b | Prostaglandin E2 receptor EP2 subtype | 1 |
| 11708917 | 10.1021/jm010264b | Prostaglandin E2 receptor EP3 subtype | 1 |
| 11708917 | 10.1021/jm010264b | Prostaglandin E2 receptor EP4 subtype | 1 |
| 11708917 | 10.1021/jm010264b | Thromboxane A2 receptor | 1 |
| 11708917 | 10.1021/jm010264b | Prostacyclin receptor | 1 |
| 11708917 | 10.1021/jm010264b | Prostaglandin D2 receptor | 1 |
| 11708917 | 10.1021/jm010264b | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine