Compound Detail
CHEMBL326860
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Basic Information
| ChEMBL ID | CHEMBL326860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONTSMVMHZIYPME-HADLQSQHSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.6
MW (Da)
4.28
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 4.86
EC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | EC50 | 5.79 | 5.79 | 1613.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 4.86 | 4.86 | 13800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 11.1 | nM | - |
| Ke | 120.0 | nM | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | EC50 | = | 1613.0 | nM | 5.79 | Concentration necessary to produce 50% of the Emax value, i.e. to stimulate [35S... | 15163203 |
| Mu-type opioid receptor | Ki | = | 13800.0 | nM | 4.86 | Binding affinity determined by displacing [3H]DAMGO from Opioid receptor mu 1 in... | 15163203 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15163203 | 10.1021/jm031126k | Mu-type opioid receptor | 3 |
| 15163203 | 10.1021/jm031126k | Delta-type opioid receptor | 3 |
| 15163203 | 10.1021/jm031126k | Kappa-type opioid receptor | 3 |
| 15163203 | 10.1021/jm031126k | Opioid receptors; mu & delta | 1 |
| 15163203 | 10.1021/jm031126k | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine