Compound Detail
CHEMBL464071
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Basic Information
| ChEMBL ID | CHEMBL464071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLKLXMMOJZHSCB-OLQIXAPSSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
301.4
MW (Da)
3.10
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.82
EC50 1 meas. best 7.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Mu-type opioid receptor CHEMBL4354 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.17 | 7.17 | 67.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 1.5 | nM | 8.82 | Displacement of [3H]U69593 form kappa opioid receptor in guinea pig brain | 19027293 |
| Mu-type opioid receptor | Ki | = | 4.0 | nM | 8.4 | Displacement of [3H]DAMGO form mu opioid receptor in guinea pig brain | 19027293 |
| Kappa-type opioid receptor | EC50 | = | 41.0 | nM | 7.39 | Activity at human cloned kappa opioid receptor expressed in CHO cells by [35S]GT... | 19027293 |
| Unchecked | Ki | = | 67.0 | nM | 7.17 | Displacement of [3H]Naltrindole form delta opioid receptor in guinea pig brain | 19027293 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Kappa-type opioid receptor | 5 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Mu-type opioid receptor | 4 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Unchecked | 2 |
| 19027293 | 10.1016/j.bmcl.2008.10.134 | Opioid receptor (mu and kappa) | 1 |
Data from ChEMBL 36 via Core Engine