Compound Detail
CHEMBL607348
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Basic Information
| ChEMBL ID | CHEMBL607348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCSOAHVAIJXNDN-ZTFGCOKTSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.38
ALogP
5
HBA
2
HBD
70.0
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.49 | 7.49 | 32.6 | 1 |
| Kappa-type opioid receptor CHEMBL3614 | Ki | 6.12 | 6.12 | 763.0 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.05 | 6.05 | 881.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 32.6 | nM | 7.49 | Displacement of [3H][DAMGO] from mu opioid receptor of rat brain membranes | 16033285 |
| Kappa-type opioid receptor | Ki | = | 763.0 | nM | 6.12 | Displacement of[3H]U69,593 from kappa opioid receptor of rat brain membranes | 16033285 |
| Delta-type opioid receptor | Ki | = | 881.0 | nM | 6.05 | Displacement of [3H]Ile5,6]-deltorphin II from delta opioid receptor of rat brai... | 16033285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16033285 | 10.1021/jm0580205 | Delta-type opioid receptor | 1 |
| 16033285 | 10.1021/jm0580205 | Kappa-type opioid receptor | 1 |
| 16033285 | 10.1021/jm0580205 | Mus musculus | 1 |
| 16033285 | 10.1021/jm0580205 | Opioid receptors; mu & delta | 1 |
| 16033285 | 10.1021/jm0580205 | Unchecked | 1 |
| 16033285 | 10.1021/jm0580205 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine