Compound Detail
CHEMBL516838
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Basic Information
| ChEMBL ID | CHEMBL516838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPCPNKRJPSZTPO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.30
ALogP
4
HBA
1
HBD
67.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 5.49 | 5.49 | 3250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 3250.0 | nM | 5.49 | Vasodilative activity against KCl-precontracted Sprague-Dawley rat thoracic aort... | 19254847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19254847 | 10.1016/j.bmc.2009.02.015 | Aorta | 2 |
Data from ChEMBL 36 via Core Engine