Compound Detail
CHEMBL67157
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Basic Information
| ChEMBL ID | CHEMBL67157 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBLMKLANMRPPGX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
5.24
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.46
EC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL236 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Delta-type opioid receptor CHEMBL236 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| Mu-type opioid receptor CHEMBL233 | Ki | 5.82 | 5.82 | 1499.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity for delta opioid receptor | 15080989 |
| Delta-type opioid receptor | EC50 | = | 27.0 | nM | 7.57 | Effective concentration against stimulation of [35S]GTP-gamma-S, binding in CHO ... | 15080989 |
| Mu-type opioid receptor | Ki | = | 1499.0 | nM | 5.82 | Binding affinity for mu opioid receptor | 15080989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15080989 | 10.1016/j.bmcl.2004.02.051 | Delta-type opioid receptor | 3 |
| 15080989 | 10.1016/j.bmcl.2004.02.051 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine