Compound Detail
CHEMBL585901
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Basic Information
| ChEMBL ID | CHEMBL585901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMKNDEDREMEMFE-BBYGMBFDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.06
ALogP
4
HBA
2
HBD
56.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 9.21 | 9.21 | 0.6 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Delta-type opioid receptor CHEMBL236 | Ki | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 0.62 | nM | 9.21 | Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cel... | 19928862 |
| Mu-type opioid receptor | Ki | = | 3.8 | nM | 8.42 | Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells | 19928862 |
| Delta-type opioid receptor | Ki | = | 180.0 | nM | 6.75 | Displacement of [3H]naltrindole from human delta opioid receptor expressed in CH... | 19928862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19928862 | 10.1021/jm9013482 | Unchecked | 2 |
| 19928862 | 10.1021/jm9013482 | Mu-type opioid receptor | 1 |
| 19928862 | 10.1021/jm9013482 | Kappa-type opioid receptor | 1 |
| 19928862 | 10.1021/jm9013482 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine