Compound Detail
CHEMBL3325854
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Basic Information
| ChEMBL ID | CHEMBL3325854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZYBZAKATAOVCG-OKDASEJXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
5.16
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.02 | 7.02 | 95.2 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 95.2 | nM | 7.02 | Displacement of [3H]DAMGO from mu opioid receptor in rat brain membranes | 25129170 |
| Delta-type opioid receptor | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]DSLET from delta opioid receptor in rat brain membranes | 25129170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25129170 | 10.1016/j.bmc.2014.07.033 | Mu-type opioid receptor | 2 |
| 25129170 | 10.1016/j.bmc.2014.07.033 | Delta-type opioid receptor | 2 |
| 25129170 | 10.1016/j.bmc.2014.07.033 | Unchecked | 2 |
| 25129170 | 10.1016/j.bmc.2014.07.033 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine