Compound Detail
CHEMBL488470
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL488470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZAFTWOVROZMXTK-NRFANRHFSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
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
Ki 2 meas. best 7.89
EC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Urotensin-2 receptor CHEMBL3764 | Ki | 7.89 | 7.89 | 13.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at kappa opioid receptor | 18524591 |
| Urotensin-2 receptor | Ki | = | 13.0 | nM | 7.89 | Binding affinity to human urotensin-2 receptor | 18524591 |
| Unchecked | Ki | = | 2000.0 | nM | 5.7 | Binding affinity to batrachotoxinin-sensitive rat brain sodium channel | 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 |
| 18524591 | 10.1016/j.bmcl.2008.05.058 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine