Compound Detail
CHEMBL368250
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CN(C(=O)[C@@H](NC(=O)OCc1ccccc1)c1ccccc1)[C@H](CN1CCCC1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL368250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVLWOQFBOPCPAM-SXOMAYOGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
4.95
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 6.86 | 6.86 | 138.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 138.0 | nM | 6.86 | In vitro binding affinity for human kappa opioid receptor was determined by usin... | 15713370 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15713370 | 10.1016/j.bmcl.2005.01.038 | Kappa-type opioid receptor | 2 |
| 15713370 | 10.1016/j.bmcl.2005.01.038 | Opioid receptors; mu & kappa | 2 |
Data from ChEMBL 36 via Core Engine