Compound Detail
CHEMBL563807
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Basic Information
| ChEMBL ID | CHEMBL563807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUBRTDOLPIMMLJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
1.26
ALogP
8
HBA
1
HBD
142.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 6.57 | 5.41 | 270.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 270.0 | nM | 6.57 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 20560642 |
| Aorta | EC50 | = | 56000.0 | nM | 4.25 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 20560642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20560642 | 10.1021/jm900587h | Aorta | 3 |
Data from ChEMBL 36 via Core Engine