Compound Detail
CHEMBL433849
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Basic Information
| ChEMBL ID | CHEMBL433849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSNPTGYVRMEOHR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
4.26
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1.28 | nM | 8.89 | Displacement of [3H]U-69593 from kappa opioid receptors in guine pig brain (minu... | 1846921 |
| Mu-type opioid receptor | Ki | = | 5000.0 | nM | 5.3 | 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 | 1 |
| 1846921 | 10.1021/jm00105a061 | Kappa-type opioid receptor | 1 |
| 1846921 | 10.1021/jm00105a061 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine