Compound Detail
CHEMBL1921840
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Basic Information
| ChEMBL ID | CHEMBL1921840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWTONVSYAJGFBT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.70
ALogP
5
HBA
1
HBD
81.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.83 | 8.83 | 1.5 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.4 | 7.4 | 39.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1.49 | nM | 8.83 | Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in ... | 21958337 |
| Mu-type opioid receptor | Ki | = | 39.6 | nM | 7.4 | Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO... | 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 | 1 |
| 21958337 | 10.1021/jm200789r | Nucleic Acid | 1 |
Data from ChEMBL 36 via Core Engine