Compound Detail
CHEMBL2159116
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Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N(C)[C@@H](C)c1nc(-c2ccccc2)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL2159116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKLKULTZZLQZDY-JXFKEZNVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
3.49
ALogP
4
HBA
3
HBD
95.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL270 | Ki | 10.0 | 10.0 | 0.1 | 1 |
| Delta-type opioid receptor CHEMBL269 | Ki | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.1 | nM | 10.0 | Binding affinity to rat mu opioid receptor | 22695132 |
| Delta-type opioid receptor | Ki | = | 15.0 | nM | 7.82 | Binding affinity to rat delta opioid receptor | 22695132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22695132 | 10.1016/j.bmcl.2012.05.042 | Mu-type opioid receptor | 2 |
| 22695132 | 10.1016/j.bmcl.2012.05.042 | Delta-type opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine