Compound Detail
CHEMBL4172138
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Basic Information
| ChEMBL ID | CHEMBL4172138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPZGMGYUKJMDIS-HBUWYVDXSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
2.65
ALogP
4
HBA
2
HBD
65.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mesenteric artery CHEMBL4296533 | IC50 | 7.04 | 6.165 | 92.0 | 2 |
| Thoracic aorta CHEMBL2367449 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mesenteric artery | IC50 | = | 92.0 | nM | 7.04 | Vasorelaxant activity in Sprague-Dawley rat endothelium intact mesentric artery ... | 28846966 |
| Thoracic aorta | IC50 | = | 199.0 | nM | 6.7 | Vasorelaxant activity in rat thoracic aorta | 28846966 |
| Mesenteric artery | IC50 | = | 5150.0 | nM | 5.29 | Vasorelaxant activity in Sprague-Dawley rat endothelium denuded mesentric artery... | 28846966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28846966 | 10.1016/j.ejmech.2017.08.026 | Mesenteric artery | 11 |
| 28846966 | 10.1016/j.ejmech.2017.08.026 | Thoracic aorta | 2 |
Data from ChEMBL 36 via Core Engine