Compound Detail
CHEMBL1929363
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]1c4nc5ccccc5cc4C[C@H]4[C@@H](C2)N(CC2CC2)CC[C@]314
Basic Information
| ChEMBL ID | CHEMBL1929363 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZDCSALITLBJNW-LQIWJUJESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
410.5
MW (Da)
4.52
ALogP
4
HBA
1
HBD
45.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 9.37 | 9.37 | 0.4 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Kappa-type opioid receptor CHEMBL3952 | Ki | 7.83 | 7.83 | 14.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 0.43 | nM | 9.37 | Displacement of [3H]DADLE from delta opioid receptor in rat cerebrum membranes | 22197670 |
| Mu-type opioid receptor | Ki | = | 13.0 | nM | 7.89 | Displacement of [3H]DAMGO from mu opioid receptor in rat cerebrum membranes | 22197670 |
| Kappa-type opioid receptor | Ki | = | 14.8 | nM | 7.83 | Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebrum m... | 22197670 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22197670 | 10.1016/j.bmc.2011.11.047 | Unchecked | 2 |
| 22197670 | 10.1016/j.bmc.2011.11.047 | Mu-type opioid receptor | 1 |
| 22197670 | 10.1016/j.bmc.2011.11.047 | Delta-type opioid receptor | 1 |
| 22197670 | 10.1016/j.bmc.2011.11.047 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine