Compound Detail
CHEMBL487821
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Basic Information
| ChEMBL ID | CHEMBL487821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRVWTDNCVUDCHB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
302.2
MW (Da)
0.55
ALogP
8
HBA
1
HBD
151.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 6.55 | 5.36 | 280.0 | 2 |
| Aorta CHEMBL613606 | EC50 | 6.55 | 5.36 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 280.0 | nM | 6.55 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 20560642 |
| Thoracic aorta | EC50 | = | 280.0 | nM | 6.55 | Vasodilatory activity in Wistar rat denuded thoracic aorta assessed as inhibitio... | 22222158 |
| Aorta | EC50 | = | 67000.0 | nM | 4.17 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 20560642 |
| Thoracic aorta | EC50 | = | 67000.0 | nM | 4.17 | Vasodilatory activity in Wistar rat thoracic aorta assessed as inhibition of L-p... | 22222158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20560642 | 10.1021/jm900587h | Aorta | 3 |
| 22222158 | 10.1016/j.bmc.2011.11.065 | Thoracic aorta | 3 |
| 18706821 | 10.1016/j.bmc.2008.07.077 | Trypanosoma cruzi | 1 |
Data from ChEMBL 36 via Core Engine