Compound Detail
CHEMBL69052
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=CCN1C[C@@H](C)N([C@@H](c2ccc(C(=O)N(CC)CC)cc2)c2cccc(O)c2)C[C@@H]1C
Basic Information
| ChEMBL ID | CHEMBL69052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBLDMHBSVIVJPM-UZINWLIJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
4.54
ALogP
4
HBA
1
HBD
47.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | IC50 | 9.31 | 9.31 | 0.5 | 1 |
| Mu-type opioid receptor CHEMBL270 | IC50 | 6.78 | 6.78 | 167.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 0.49 | nM | 9.31 | Tested for inhibition of binding of [3H]DADLE to mouse brain membranes depleted ... | 8035418 |
| Mu-type opioid receptor | IC50 | = | 167.0 | nM | 6.78 | Evaluated for inhibition of [3H]DAMGO binding from mu receptor in rat brain memb... | 8035418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8035418 | 10.1021/jm00040a002 | Mu-type opioid receptor | 1 |
| 8035418 | 10.1021/jm00040a002 | Delta-type opioid receptor | 1 |
| 8035418 | 10.1021/jm00040a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine