Compound Detail
CHEMBL3290872
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Basic Information
| ChEMBL ID | CHEMBL3290872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQAUCFHALXVHNO-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.6
MW (Da)
2.14
ALogP
4
HBA
0
HBD
44.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 5.18 | 4.875 | 6610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 6610.0 | nM | 5.18 | Vasorelaxant activity in Wistar rat endothelium-intact thoracic aortic rings ass... | 24929291 |
| Aorta | EC50 | = | 27160.0 | nM | 4.57 | Vasorelaxant activity in Wistar rat endothelium-denuded thoracic aortic rings as... | 24929291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24929291 | 10.1016/j.ejmech.2014.05.052 | Aorta | 2 |
Data from ChEMBL 36 via Core Engine