Compound Detail
CHEMBL2113735
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Basic Information
| ChEMBL ID | CHEMBL2113735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBKMHZDNQWQSNM-MZGVDSNGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
4.80
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.76 | 8.76 | 1.8 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.09 | 7.09 | 81.8 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.15 | 6.15 | 709.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 1.75 | nM | 8.76 | Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain membranes | 9599247 |
| Kappa-type opioid receptor | Ki | = | 81.8 | nM | 7.09 | Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig membr... | 9599247 |
| Delta-type opioid receptor | Ki | = | 709.0 | nM | 6.15 | Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain membran... | 9599247 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599247 | 10.1021/jm980063g | Mu-type opioid receptor | 1 |
| 9599247 | 10.1021/jm980063g | Delta-type opioid receptor | 1 |
| 9599247 | 10.1021/jm980063g | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine