Compound Detail
CHEMBL5201238
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Basic Information
| ChEMBL ID | CHEMBL5201238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRCLKUNSDLBUKP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.55
ALogP
5
HBA
1
HBD
63.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 5.38 | 5.38 | 4172.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 4172.0 | nM | 5.38 | Binding affinity to KOR (unknown origin) assessed as inhibition constant by radi... | 35724925 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35724925 | 10.1016/j.bmcl.2022.128860 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Sigma intracellular receptor 2 | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Mu-type opioid receptor | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Delta-type opioid receptor | 1 |
| 35724925 | 10.1016/j.bmcl.2022.128860 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine