Compound Detail
CHEMBL5194121
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Basic Information
| ChEMBL ID | CHEMBL5194121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDRNTIORVNLELJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
1.74
ALogP
3
HBA
1
HBD
66.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 5.59 | 5.59 | 2551.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2551.0 | nM | 5.59 | Displacement of [3H]-DAMGO from Sprague-Dawley rat brain membrane mu opioid rece... | 35016113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35016113 | 10.1016/j.ejmech.2021.114091 | Mus musculus | 2 |
| 35016113 | 10.1016/j.ejmech.2021.114091 | Sigma intracellular receptor 2 | 1 |
| 35016113 | 10.1016/j.ejmech.2021.114091 | Sigma non-opioid intracellular receptor 1 | 1 |
| 35016113 | 10.1016/j.ejmech.2021.114091 | Mu-type opioid receptor | 1 |
| 35016113 | 10.1016/j.ejmech.2021.114091 | Delta-type opioid receptor | 1 |
| 35016113 | 10.1016/j.ejmech.2021.114091 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine