Compound Detail
CHEMBL488635
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Basic Information
| ChEMBL ID | CHEMBL488635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAFTWOVROZMXTK-OAQYLSRUSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.4
MW (Da)
4.73
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 10.0
Ki 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 10.0 | 10.0 | 0.1 | 1 |
| Urotensin-2 receptor CHEMBL3764 | Ki | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 0.1 | nM | 10.0 | Agonist activity at kappa opioid receptor | 18524591 |
| Urotensin-2 receptor | Ki | = | 2500.0 | nM | 5.6 | Binding affinity to human urotensin-2 receptor | 18524591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18524591 | 10.1016/j.bmcl.2008.05.058 | Urotensin-2 receptor | 1 |
| 18524591 | 10.1016/j.bmcl.2008.05.058 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine