Compound Detail
CHEMBL374085
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Basic Information
| ChEMBL ID | CHEMBL374085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOUTUEHPWSYERY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.46
ALogP
4
HBA
1
HBD
67.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aorta CHEMBL613606 | IC50 | 4.6 | 4.6 | 25118.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aorta | IC50 | = | 25118.86 | nM | 4.6 | Vasorelaxation activity on KCl-induced contractile tone in Wistar rat thoracic a... | 17181142 |
| Aorta | IC50 | = | 25118.86 | nM | 4.6 | Vasorelaxation activity in Wistar rat thoracic aortic ring assessed as inhibitio... | 18925735 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17181142 | 10.1021/jm061228l | Rattus norvegicus | 8 |
| 18925735 | 10.1021/jm800956g | Rattus norvegicus | 3 |
| 21288603 | 10.1016/j.ejmech.2011.01.003 | Rattus norvegicus | 3 |
| 17181142 | 10.1021/jm061228l | Aorta | 2 |
| 19215088 | 10.1021/jm801459f | Rattus norvegicus | 2 |
| 18925735 | 10.1021/jm800956g | Aorta | 2 |
| 21288603 | 10.1016/j.ejmech.2011.01.003 | H9c2 | 2 |
| 19595602 | 10.1016/j.bmc.2009.06.028 | Heart | 1 |
Data from ChEMBL 36 via Core Engine