Compound Detail
CHEMBL316863
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
CCN(CC)C(=O)c1[nH]c2c(c1C)C[C@@]1(c3cccc(O)c3)CCN(C)C[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL316863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJJZPUSYYMDGED-MHECFPHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
3.50
ALogP
3
HBA
2
HBD
59.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL3222 | Ki | 8.52 | 8.52 | 3.0 | 1 |
| Mu-type opioid receptor CHEMBL2858 | Ki | 7.05 | 7.05 | 89.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 3.0 | nM | 8.52 | inhibition of [3H]DADLE binding to delta-opioid receptor of mouse brain homogena... | - |
| Mu-type opioid receptor | Ki | = | 89.4 | nM | 7.05 | Inhibition of [3H]DAMGO from mouse brain homogenate Mu opioid receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)10119-6 | Delta-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Mu-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(97)10119-6 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine