Compound Detail
CHEMBL4545050
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
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CCC(=O)N1CCc2ccccc2C1c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4545050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONHACLFIIHPLGZ-IQACEWDJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
5.48
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.54
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 7.02 | 7.02 | 96.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 96.0 | nM | 7.02 | Displacement of [3H]DAMGO from MOR in HEK293 cells | 27624520 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27624520 | 10.1016/j.bmc.2016.08.057 | Unchecked | 2 |
| 27624520 | 10.1016/j.bmc.2016.08.057 | Mu-type opioid receptor | 1 |
| 27624520 | 10.1016/j.bmc.2016.08.057 | Kappa-type opioid receptor | 1 |
| 27624520 | 10.1016/j.bmc.2016.08.057 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine