Compound Detail
CHEMBL2016673
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
Oc1ccc2c3c1O[C@H]1[C@@]4(O)CC[C@@]5(NC4)[C@@H](C2)N(CC2CC2)CC[C@]315
Basic Information
| ChEMBL ID | CHEMBL2016673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAAWZHLHPCGXBT-VHQPJYBDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.30
ALogP
5
HBA
3
HBD
65.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL2858 | Ki | 9.55 | 9.55 | 0.3 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 9.07 | 9.07 | 0.9 | 1 |
| Delta-type opioid receptor CHEMBL3222 | Ki | 7.87 | 7.87 | 13.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.28 | nM | 9.55 | Displacement of [3H]DAMGO from mouse brain mu opioid receptor | 22445285 |
| Kappa-type opioid receptor | Ki | = | 0.86 | nM | 9.07 | Displacement of [3H]DPDPE from kappa opioid receptor in guinea pig cerebellum me... | 22445285 |
| Delta-type opioid receptor | Ki | = | 13.5 | nM | 7.87 | Displacement of [3H]U-69,593 from mouse brain delta opioid receptor | 22445285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22445285 | 10.1016/j.bmcl.2012.03.001 | Unchecked | 2 |
| 22445285 | 10.1016/j.bmcl.2012.03.001 | Mu-type opioid receptor | 1 |
| 22445285 | 10.1016/j.bmcl.2012.03.001 | Kappa-type opioid receptor | 1 |
| 22445285 | 10.1016/j.bmcl.2012.03.001 | Delta-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine