Compound Detail
CHEMBL5088860
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Basic Information
| ChEMBL ID | CHEMBL5088860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDBYXSKOJNEYQG-WTQRLHSKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
366.5
MW (Da)
3.78
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 8.21 | 8.21 | 6.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 8.8 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 6.1 | nM | 8.21 | Agonist activity at mu opioid receptor (unknown origin) assessed as increase in ... | 34802839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34802839 | 10.1016/j.ejmech.2021.113986 | Mu-type opioid receptor | 3 |
| 34802839 | 10.1016/j.ejmech.2021.113986 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine