Compound Detail
CHEMBL1685
DEZOCINE 💊 Approved Drug
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💊 Approved Drug
Basic Information
| ChEMBL ID | CHEMBL1685 |
| Name | DEZOCINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | VTMVHDZWSFQSQP-VBNZEHGJSA-N |
| Therapeutic | ✓ Yes |
1
Targets
7
Activities
3
Assay Types
0
PK Parameters
4
Publications
7
Known Names
1
Indications
2
Mechanisms
Molecular Properties
245.4
MW (Da)
3.11
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 1989 |
| Availability | Discontinued |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Mu opioid receptor partial agonist | PARTIAL AGONIST | Mu-type opioid receptor | ✓ | ✓ |
| Kappa opioid receptor antagonist | ANTAGONIST | Kappa-type opioid receptor | ✓ | ✓ |
Indications
Pain
ATC Classification
N02AX03
dezocine
Level 1: NERVOUS SYSTEM
Level 2: ANALGESICS
Activity Summary
EC50 3 meas. best 7.7
IC50 2 meas. best 6.89
Ki 2 meas. best 9.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.27 | 9.27 | 0.5 | 2 |
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.7 | 7.6067 | 20.0 | 3 |
| Mu-type opioid receptor CHEMBL233 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.54 | nM | 9.27 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | Ki | = | 0.54 | nM | 9.27 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | EC50 | = | 20.0 | nM | 7.7 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | EC50 | = | 20.0 | nM | 7.7 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | EC50 | = | 38.0 | nM | 7.42 | Agonist activity at human cloned mu opioid receptor by [35S]GTPgammaS binding as... | 19168350 |
| Mu-type opioid receptor | IC50 | = | 130.0 | nM | 6.89 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
| Mu-type opioid receptor | IC50 | = | 130.0 | nM | 6.89 | Opioid Receptor Binding Assay: The Ki (binding affinity) for opioid receptors wa... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16472241 | 10.2174/1570163043334794 | Hepatotoxicity | 18 |
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 4 |
| 19168350 | 10.1016/j.bmcl.2008.12.095 | Mu-type opioid receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
Data from ChEMBL 36 via Core Engine