Compound Detail
CHEMBL5208375
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Basic Information
| ChEMBL ID | CHEMBL5208375 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXDSKBHNBRCBID-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
4.27
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.62
EC50 1 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 CHEMBL4153 | Ki | 7.62 | 7.62 | 24.1 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 6.65 | 6.65 | 224.4 | 1 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 6.64 | 6.64 | 231.3 | 1 |
| Sigma intracellular receptor 2 CHEMBL4105907 | Ki | 6.17 | 6.17 | 670.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 | Ki | = | 24.1 | nM | 7.62 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain me... | 35961067 |
| Mu-type opioid receptor | Ki | = | 224.4 | nM | 6.65 | Displacement of [3H]-DAMGO from human MOR expressed in CHO-K1 cell membranes inc... | 35961067 |
| Mu-type opioid receptor | EC50 | = | 231.3 | nM | 6.64 | Partial agonist activity at human MOR expressed in CHO-K1 cells assessed as inhi... | 35961067 |
| Sigma intracellular receptor 2 | Ki | = | 670.1 | nM | 6.17 | Binding affinity to sigma2 receptor (unknown origin) measured by radioligand bin... | 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 | Rattus norvegicus | 2 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Mus musculus | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Delta-type opioid receptor | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Kappa-type opioid receptor | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Cannabinoid receptor 1 | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Cannabinoid receptor 2 | 1 |
| 35961067 | 10.1016/j.ejmech.2022.114649 | Sigma intracellular receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine