Compound Detail
CHEMBL133945
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CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCP(=O)(O)CC)[C@@H](O)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL133945 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRHKHJQRUPOSBK-GPPPFWBLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.86
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.21
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 4100.0 | nM | 5.39 | 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 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine