Compound Detail
CHEMBL607350
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Basic Information
| ChEMBL ID | CHEMBL607350 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNCVRVFRFKEAMM-NSISKUIASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
2.18
ALogP
5
HBA
1
HBD
65.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 8.61 | 8.61 | 2.4 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.97 | 6.97 | 107.0 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 6.44 | 6.44 | 364.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 2.44 | nM | 8.61 | Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes | 16033285 |
| Delta-type opioid receptor | Ki | = | 107.0 | nM | 6.97 | Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brai... | 16033285 |
| Kappa-type opioid receptor | Ki | = | 364.0 | nM | 6.44 | Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes | 16033285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033285 | 10.1021/jm0580205 | Mus musculus | 3 |
| 16033285 | 10.1021/jm0580205 | Mu-type opioid receptor | 1 |
| 16033285 | 10.1021/jm0580205 | Delta-type opioid receptor | 1 |
| 16033285 | 10.1021/jm0580205 | Kappa-type opioid receptor | 1 |
| 16033285 | 10.1021/jm0580205 | Opioid receptors; mu & delta | 1 |
| 16033285 | 10.1021/jm0580205 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine