Compound Detail
CHEMBL542069
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 | CHEMBL542069 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGFKVTRVFDZNME-KPVRICSOSA-N |
| Parent Compound | CHEMBL1191032 |
| Active Moiety | CHEMBL1191032 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
351.3
MW (Da)
3.59
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL4354 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibitory activity against opioid receptor mu of guinea pig brain using [3H]DAG... | 2542556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2542556 | 10.1021/jm00126a019 | Mus musculus | 2 |
| 2542556 | 10.1021/jm00126a019 | Mu-type opioid receptor | 1 |
| 2542556 | 10.1021/jm00126a019 | Delta-type opioid receptor | 1 |
| 2542556 | 10.1021/jm00126a019 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine