Compound Detail
CHEMBL166355
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Basic Information
| ChEMBL ID | CHEMBL166355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLKXBHFJETUNMU-JBFAYCCDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.07
ALogP
7
HBA
2
HBD
88.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL3041 | IC50 | 9.74 | 9.74 | 0.2 | 1 |
| Opioid receptors; mu/kappa/delta CHEMBL2095181 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | IC50 | = | 0.18 | nM | 9.74 | In vitro binding affinity against Opioid receptor mu 1 from bovine caudate nucle... | 2153826 |
| Opioid receptors; mu/kappa/delta | IC50 | = | 2.4 | nM | 8.62 | In vitro binding affinity against Opioid receptors from bovine caudate nucleus d... | 2153826 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153826 | 10.1021/jm00164a043 | Opioid receptors; mu/kappa/delta | 4 |
| 2153826 | 10.1021/jm00164a043 | Mu-type opioid receptor | 1 |
| 2153826 | 10.1021/jm00164a043 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine