Compound Detail
CHEMBL119524
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Basic Information
| ChEMBL ID | CHEMBL119524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTFLWBZDYNOXOR-KRWDZBQOSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
328.5
MW (Da)
2.69
ALogP
3
HBA
0
HBD
40.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL4329 | Ki | 7.33 | 7.33 | 47.0 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL3465 | Ki | 5.92 | 5.92 | 1210.0 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 5.17 | 5.17 | 6790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 47.0 | nM | 7.33 | Evaluated for the binding affinity at kappa receptor | 7932577 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 1210.0 | nM | 5.92 | Evaluated for the binding affinity at sigma receptor | 7932577 |
| Mu-type opioid receptor | Ki | = | 6790.0 | nM | 5.17 | Evaluated for the binding affinity at mu receptor | 7932577 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932577 | 10.1021/jm00047a006 | Mus musculus | 3 |
| 7932577 | 10.1021/jm00047a006 | Rattus norvegicus | 2 |
| 7932577 | 10.1021/jm00047a006 | Kappa-type opioid receptor | 1 |
| 7932577 | 10.1021/jm00047a006 | Mu-type opioid receptor | 1 |
| 7932577 | 10.1021/jm00047a006 | Delta-type opioid receptor | 1 |
| 7932577 | 10.1021/jm00047a006 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine