Compound Detail
CHEMBL3394774
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C=CC(C)(O)CC[C@@]1(C)[C@H](C)CC[C@]2(C)[C@@H]1C[C@@H](O)[C@H]1O[C@]12C
Basic Information
| ChEMBL ID | CHEMBL3394774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODARRAGDSAHHEW-WETOVQBQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
322.5
MW (Da)
3.68
ALogP
3
HBA
2
HBD
53.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 25000.0 | nM | 4.6 | Displacement of [3H]DPDPE from delta opioid receptor in CD1 mouse whole brain mi... | 25562563 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25562563 | 10.1021/np500671v | Delta-type opioid receptor | 1 |
| 25562563 | 10.1021/np500671v | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine