Compound Detail
CHEMBL3794458
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Basic Information
| ChEMBL ID | CHEMBL3794458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCJRWSQYSLEKEI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
2.83
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 4.45 | 4.45 | 35490.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thoracic aorta | EC50 | = | 35490.0 | nM | 4.45 | Vasorelaxant activity in Wistar rat endothelium-intact thoracic aortic rings ass... | 27031211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27031211 | 10.1016/j.ejmech.2016.03.028 | Thoracic aorta | 1 |
Data from ChEMBL 36 via Core Engine