Compound Detail
CHEMBL414124
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Basic Information
| ChEMBL ID | CHEMBL414124 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPVLYCGCBSKKNX-FYYLOGMGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
5.18
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.8 | 5.99 | 160.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.7 | 4.7 | 19870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 160.0 | nM | 6.8 | Negative inotropic activity assessed as decrease in developed tension in isolate... | 17228875 |
| NON-PROTEIN TARGET | EC50 | = | 6630.0 | nM | 5.18 | Negative chronotropic activity assessed as decrease in atrial rate in isolated g... | 17228875 |
| Unchecked | EC50 | = | 19870.0 | nM | 4.7 | Activity against alternating current-induced arrhythmia in guinea pig left atriu... | 17228875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228875 | 10.1021/jm060878m | NON-PROTEIN TARGET | 4 |
| 17228875 | 10.1021/jm060878m | Unchecked | 2 |
| 17228875 | 10.1021/jm060878m | Aorta | 1 |
Data from ChEMBL 36 via Core Engine