Compound Detail
CHEMBL2371927
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Basic Information
| ChEMBL ID | CHEMBL2371927 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | CQWPAUCCWVZJGU-PMACEKPBSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
1.03
ALogP
5
HBA
4
HBD
133.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.86
Kd 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 8.86 | 8.86 | 1.4 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Kd | 8.85 | 8.85 | 1.4 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.28 | 6.28 | 529.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 1.38 | nM | 8.86 | Displacement of [3H]deltorphin2 from delta opioid receptor in Sprague-Dawley rat... | 16942034 |
| Delta-type opioid receptor | Kd | = | 1.413 | nM | 8.85 | Antagonist activity at delta opioid receptor assessed as inhibition of deltorphi... | 16942034 |
| Mu-type opioid receptor | Ki | = | 529.0 | nM | 6.28 | Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2... | 16942034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942034 | 10.1021/jm060741w | Delta-type opioid receptor | 2 |
| 16942034 | 10.1021/jm060741w | Mu-type opioid receptor | 1 |
| 16942034 | 10.1021/jm060741w | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine