Compound Detail
CHEMBL396636
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Basic Information
| ChEMBL ID | CHEMBL396636 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLFVNIZXZRFDHC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.16
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 8.12 | 8.12 | 7.5 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.97 | 6.97 | 107.9 | 1 |
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.97 | 6.97 | 106.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 7.55 | nM | 8.12 | Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed... | 17980586 |
| Kappa-type opioid receptor | Ki | = | 105.95 | nM | 6.97 | Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expres... | 17980586 |
| Delta-type opioid receptor | Ki | = | 107.88 | nM | 6.97 | 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 | 2 |
| 17980586 | 10.1016/j.bmcl.2007.10.025 | Kappa-type opioid receptor | 2 |
| 17980586 | 10.1016/j.bmcl.2007.10.025 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine