Compound Detail
CHEMBL235154
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Basic Information
| ChEMBL ID | CHEMBL235154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACAQNMZIFFSQCU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.53
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 6.18 | 6.18 | 658.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 5.64 | 5.64 | 2274.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 658.8 | nM | 6.18 | Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed... | 17980586 |
| Delta-type opioid receptor | Ki | = | 2274.0 | nM | 5.64 | Displacement of [3H]bremazocine from cloned human delta opioid receptor expresse... | 17980586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17980586 | 10.1016/j.bmcl.2007.10.025 | Mu-type opioid receptor | 1 |
| 17980586 | 10.1016/j.bmcl.2007.10.025 | Kappa-type opioid receptor | 1 |
| 17980586 | 10.1016/j.bmcl.2007.10.025 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine