Compound Detail
CHEMBL5084960
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]c4cccc(-c5ccccc5)c34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC
Basic Information
| ChEMBL ID | CHEMBL5084960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQLVXYNJWAQAAZ-FYSGPMATSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.6
MW (Da)
5.48
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | EC50 | 7.08 | 7.08 | 83.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | EC50 | = | 83.16 | nM | 7.08 | Agonist activity at human MOR expressed in HEK293T cells assessed as inhibition ... | 34505767 |
| Mu-type opioid receptor | EC50 | = | 83.18 | nM | 7.08 | 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