Compound Detail
CHEMBL453170
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Basic Information
| ChEMBL ID | CHEMBL453170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPIJUOBVEUZDNY-SNVBAGLBSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
256.2
MW (Da)
1.40
ALogP
6
HBA
0
HBD
104.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | EC50 | 7.31 | 6.228 | 49.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | EC50 | = | 49.0 | nM | 7.31 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 19438239 |
| Aorta | EC50 | = | 120.0 | nM | 6.92 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 19438239 |
| Aorta | EC50 | = | 270.0 | nM | 6.57 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 19438239 |
| Aorta | EC50 | = | 1600.0 | nM | 5.8 | Vasodilatory activity in Wistar rat endothelium-denuded cross tolerant thoracic ... | 19438239 |
| Aorta | EC50 | = | 29000.0 | nM | 4.54 | Vasodilatory activity in Wistar rat endothelium-denuded thoracic aortic ring ass... | 19438239 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19438239 | 10.1021/jm9002236 | Aorta | 8 |
Data from ChEMBL 36 via Core Engine