Compound Detail
CHEMBL3794338
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Basic Information
| ChEMBL ID | CHEMBL3794338 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPPHMHBVALZKPB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
3.09
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thoracic aorta CHEMBL2367449 | EC50 | 5.56 | 5.13 | 2780.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thoracic aorta | EC50 | = | 2780.0 | nM | 5.56 | Vasorelaxant activity in Wistar rat endothelium-intact thoracic aortic rings ass... | 27031211 |
| Thoracic aorta | EC50 | = | 4660.0 | nM | 5.33 | Vasorelaxant activity in Wistar rat endothelium-denuded thoracic aortic rings as... | 27031211 |
| Thoracic aorta | EC50 | = | 15020.0 | nM | 4.82 | Vasorelaxant activity in Wistar rat thoracic aortic rings assessed relaxation of... | 27031211 |
| Thoracic aorta | EC50 | = | 15610.0 | nM | 4.81 | Vasorelaxant activity in Wistar rat thoracic aortic rings assessed relaxation of... | 27031211 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27031211 | 10.1016/j.ejmech.2016.03.028 | Thoracic aorta | 4 |
Data from ChEMBL 36 via Core Engine