Compound Detail
CHEMBL5088382
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
CC[C@@H]1CN2CCc3c([nH]c4ccc(-c5ccccc5)c(OC)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL5088382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWOZLFOEDGOVTH-FYSGPMATSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.49
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.29
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 5.42 | 5.42 | 3763.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 3763.0 | nM | 5.42 | Agonist activity at human MOR expressed in HEK293T cells assessed as inhibition ... | 34505767 |
| Mu-type opioid receptor | EC50 | = | 3801.89 | nM | 5.42 | Agonist activity at human MOR expressed in HEK293T cells assessed as inhibition ... | 34505767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34505767 | 10.1021/acs.jmedchem.1c01273 | Mu-type opioid receptor | 5 |
Data from ChEMBL 36 via Core Engine