Compound Detail
CHEMBL312040
ETONITAZENE 🧪 Phase II
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL312040 |
| Name | ETONITAZENE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | PXDBZSCGSQSKST-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
10
Known Names
Molecular Properties
396.5
MW (Da)
4.28
ALogP
6
HBA
0
HBD
73.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
Ki 7 meas. best 11.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL5799 | Ki | 11.0 | 10.85 | 0.0 | 2 |
| Mu-type opioid receptor CHEMBL233 | Ki | 9.7 | 9.7 | 0.2 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Opioid receptor CHEMBL2094129 | Ki | 9.22 | 9.22 | 0.6 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.75 | 6.69 | 176.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.01 | nM | 11.0 | Binding affinity to mu opioid receptor in rhesus monkey brain membrane in presen... | 18403056 |
| Mu-type opioid receptor | Ki | = | 0.02 | nM | 10.7 | Binding affinity to mu opioid receptor in rhesus monkey brain membrane in absenc... | 18403056 |
| Mu-type opioid receptor | Ki | = | 0.2 | nM | 9.7 | Displacement of [3H]-Diprenorphine from human mu opioid receptor expressed in HE... | 29400965 |
| Mu-type opioid receptor | Ki | = | 0.5 | nM | 9.3 | Inhibition of [3H]DAGO binding to rat brain membrane Opioid receptor mu 1 | 2167979 |
| Opioid receptor | Ki | = | 0.6 | nM | 9.22 | Inhibition of [3H]diprenorphine binding to rat brain membrane opioid receptors;(... | 2167979 |
| Unchecked | Ki | = | 176.0 | nM | 6.75 | Binding affinity to delta opioid receptor in rhesus monkey brain membrane in pre... | 18403056 |
| Unchecked | Ki | = | 235.0 | nM | 6.63 | Binding affinity to kappa opioid receptor in rhesus monkey brain membrane in pre... | 18403056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18403056 | 10.1016/j.ejmech.2008.02.011 | Unchecked | 6 |
| 18403056 | 10.1016/j.ejmech.2008.02.011 | Mu-type opioid receptor | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 2167979 | 10.1021/jm00171a020 | Mu-type opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | Delta-type opioid receptor | 1 |
| 2167979 | 10.1021/jm00171a020 | Opioid receptor | 1 |
| 29400965 | 10.1021/acs.jmedchem.7b01760 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine