Compound Detail
CHEMBL486462
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Basic Information
| ChEMBL ID | CHEMBL486462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKNODOXJPMDLTM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
286.2
MW (Da)
0.71
ALogP
7
HBA
1
HBD
142.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
| Aorta CHEMBL613606 | EC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 330.0 | nM | 6.48 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 20560642 |
| Thoracic aorta | EC50 | = | 330.0 | nM | 6.48 | Vasodilatory activity in Wistar rat denuded thoracic aorta assessed as inhibitio... | 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 |
| 24900337 | 10.1021/ml100302t | ATP-binding cassette sub-family C member 3 | 1 |
Data from ChEMBL 36 via Core Engine