Compound Detail
CHEMBL218853
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Basic Information
| ChEMBL ID | CHEMBL218853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQPNERKMUPSIDS-DLBZAZTESA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
3.90
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.21 | 5.8867 | 620.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 5.24 | 5.24 | 5710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 620.0 | nM | 6.21 | Negative inotropic activity assessed as decrease in developed tension in isolate... | 17228875 |
| NON-PROTEIN TARGET | EC50 | = | 620.0 | nM | 6.21 | Negative inotropic activity against potassium-induced contraction in guinea pig ... | 20509610 |
| Unchecked | EC50 | = | 5710.0 | nM | 5.24 | Activity against alternating current-induced arrhythmia in guinea pig left atriu... | 17228875 |
| NON-PROTEIN TARGET | EC50 | = | 5710.0 | nM | 5.24 | Antiarrhythmic activity in sinusoidal alternating current-induced guinea pig lef... | 20509610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20509610 | 10.1021/jm100298d | NON-PROTEIN TARGET | 5 |
| 17228875 | 10.1021/jm060878m | NON-PROTEIN TARGET | 3 |
| 17228875 | 10.1021/jm060878m | Unchecked | 2 |
| 17228875 | 10.1021/jm060878m | Aorta | 1 |
| 20509610 | 10.1021/jm100298d | Aorta | 1 |
Data from ChEMBL 36 via Core Engine