Compound Detail
CHEMBL365547
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COC(=O)C1=C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@@]3(C)C[C@@H](c4ccoc4)OC(=O)[C@@H]3CC[C@@]12C
Basic Information
| ChEMBL ID | CHEMBL365547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQPFAKLWYQMQER-DZQZDKHXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.5
MW (Da)
3.28
ALogP
9
HBA
0
HBD
118.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3614 | Ki | 5.99 | 5.99 | 1022.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1022.0 | nM | 5.99 | Inhibition of [3H]U-69593 binding to rat opioid receptor kappa 1 expressed in HE... | 15658846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658846 | 10.1021/jm049438q | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine