Compound Detail
CHEMBL5088559
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5088559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMGNJLAUHBTNLF-DHIUTWEWSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
4.16
ALogP
5
HBA
1
HBD
43.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 108.3 | 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 | = | 0.1 | nM | 10.0 | Detection of MOR cAMP Agonist Activity: The experiment was performed using a cAM... | - |
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