Compound Detail
CHEMBL186527
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Basic Information
| ChEMBL ID | CHEMBL186527 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTLPGZMNWBXIHT-PMACEKPBSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.32
ALogP
4
HBA
3
HBD
95.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
Ki 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 7.64 | 7.64 | 23.1 | 1 |
| Mu-type opioid receptor CHEMBL4354 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 23.1 | nM | 7.64 | Binding affinity for Mu opioid receptor of rat brain | 15456245 |
| Mu-type opioid receptor | EC50 | = | 1300.0 | nM | 5.89 | Inhibition of mu opioid receptor mediated GTPgammaS binding to CHO cell membrane... | 15456245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15456245 | 10.1021/jm030548r | Delta-type opioid receptor | 2 |
| 15456245 | 10.1021/jm030548r | Mu-type opioid receptor | 2 |
| 15456245 | 10.1021/jm030548r | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine