Compound Detail
CHEMBL611162
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C=CCN1C[C@H](C)N([C@@H](c2ccc(C(=O)O)cc2)c2cccc(OC)c2)C[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL611162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXKYVPUYHSJRKK-STSQHVNTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
4.06
ALogP
4
HBA
1
HBD
53.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | IC50 | = | 450.0 | nM | 6.35 | Binding inhibition of [3H]- -naltrindole (0.15 nM) to membranes in CHO cells exp... | 10340622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10340622 | 10.1016/s0960-894x(99)00173-0 | Delta-type opioid receptor | 1 |
| 10340622 | 10.1016/s0960-894x(99)00173-0 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine