Compound Detail
CHEMBL2057690
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Basic Information
| ChEMBL ID | CHEMBL2057690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJAHDTDQGCSHHB-CWJKEVGVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
330.5
MW (Da)
3.23
ALogP
3
HBA
2
HBD
35.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.45 | 6.45 | 352.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 352.0 | nM | 6.45 | Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum | 22742909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22742909 | 10.1016/j.bmcl.2012.05.122 | Unchecked | 2 |
| 22742909 | 10.1016/j.bmcl.2012.05.122 | Mu-type opioid receptor | 1 |
| 22742909 | 10.1016/j.bmcl.2012.05.122 | Delta-type opioid receptor | 1 |
| 22742909 | 10.1016/j.bmcl.2012.05.122 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine