Compound Detail
CHEMBL5208537
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Basic Information
| ChEMBL ID | CHEMBL5208537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRSYPDLBVOONCG-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
4.63
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.76
EC50 1 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.14 | 8.14 | 7.2 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 7.76 | 7.76 | 17.3 | 1 |
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.13 | 7.13 | 74.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 7.24 | nM | 8.14 | Agonist activity at human MOR expressed in CHO-K1 cells assessed as inhibition o... | 35961067 |
| Mu-type opioid receptor | Ki | = | 17.3 | nM | 7.76 | Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes inc... | 35961067 |
| Sigma non-opioid intracellular receptor 1 | Ki | = | 74.5 | nM | 7.13 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 35961067 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35961067 | 10.1016/j.ejmech.2022.114649 | Mu-type opioid receptor | 3 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Unchecked | 3 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine