Compound Detail
CHEMBL1921842
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Basic Information
| ChEMBL ID | CHEMBL1921842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOOCZNLSXJHWTG-NRFANRHFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
407.9
MW (Da)
4.96
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.14 | 9.14 | 0.7 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.59 | 7.59 | 25.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.722 | nM | 9.14 | Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in ... | 21958337 |
| Mu-type opioid receptor | Ki | = | 25.8 | nM | 7.59 | Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO... | 21958337 |
| Delta-type opioid receptor | Ki | = | 153.0 | nM | 6.82 | Displacement of [3H]diprenorphine from human opioid delta receptor expressed in ... | 21958337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21958337 | 10.1021/jm200789r | Unchecked | 4 |
| 21958337 | 10.1021/jm200789r | Kappa-type opioid receptor | 3 |
| 21958337 | 10.1021/jm200789r | Mu-type opioid receptor | 3 |
| 21958337 | 10.1021/jm200789r | Delta-type opioid receptor | 3 |
| 21958337 | 10.1021/jm200789r | Striatum | 2 |
| 21958337 | 10.1021/jm200789r | Nucleic Acid | 1 |
| 21958337 | 10.1021/jm200789r | Cerebellum | 1 |
Data from ChEMBL 36 via Core Engine