Compound Detail
CHEMBL39746
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COc1ccccc1CC[C@H](O)CC[C@@H]1[C@@H](CCCCCCC(=O)O)[C@@H](O)C[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL39746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKMPQZNAHCQQAM-AHJNKEMKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
3.55
ALogP
5
HBA
4
HBD
107.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor CHEMBL1987 | IC50 | 5.23 | 5.23 | 5890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin F2-alpha receptor | IC50 | = | 5890.0 | nM | 5.23 | Displacement of [3H]PGF-2 from human FP-receptor expressed in CHO-KI cells | 10915040 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Prostaglandin F2-alpha receptor | 1 |
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Thromboxane A2 receptor | 1 |
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Prostaglandin E2 receptor EP1 subtype | 1 |
| 10915040 | 10.1016/s0960-894x(00)00273-0 | Prostaglandin E2 receptor EP3 subtype | 1 |
Data from ChEMBL 36 via Core Engine