Compound Detail
CHEMBL128542
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Basic Information
| ChEMBL ID | CHEMBL128542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFTWMVGLYKJUCZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
3.72
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.24 | 9.175 | 0.6 | 2 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 5.63 | 5.54 | 2340.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.57 | nM | 9.24 | Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minu... | 1846921 |
| Kappa-type opioid receptor | Ki | = | 0.78 | nM | 9.11 | Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minu... | 1846921 |
| Mu-type opioid receptor | Ki | = | 2340.0 | nM | 5.63 | Displacement of [3H]DAGO from mu opioid receptors in guinea pig brain (minus cer... | 1846921 |
| Mu-type opioid receptor | Ki | = | 3520.0 | nM | 5.45 | Displacement of [3H]DAGO from mu opioid receptors in guinea pig brain (minus cer... | 1846921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1846921 | 10.1021/jm00105a061 | Mus musculus | 3 |
| 1846921 | 10.1021/jm00105a061 | Kappa-type opioid receptor | 2 |
| 1846921 | 10.1021/jm00105a061 | Mu-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine