Compound Detail
CHEMBL300689
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Basic Information
| ChEMBL ID | CHEMBL300689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQENLWFUKSDROS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.3
MW (Da)
1.99
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | Ki | 7.27 | 6.63 | 54.0 | 2 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 6.75 | 6.525 | 177.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 54.0 | nM | 7.27 | Binding affinity against mu opioid receptor was determined in brain membrane pre... | 9873439 |
| Kappa-type opioid receptor | Ki | = | 177.0 | nM | 6.75 | Binding affinity against Opioid receptor kappa 1 was determined in brain membran... | 9873439 |
| Kappa-type opioid receptor | Ki | = | 505.0 | nM | 6.3 | Binding affinity against Opioid receptor kappa 1 was determined in brain membran... | 9873439 |
| Mu-type opioid receptor | Ki | = | 1015.0 | nM | 5.99 | Binding affinity against mu opioid receptor was determined in brain membrane pre... | 9873439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873439 | 10.1016/s0960-894x(98)00318-7 | Mu-type opioid receptor | 2 |
| 9873439 | 10.1016/s0960-894x(98)00318-7 | Kappa-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine