Compound Detail
CHEMBL220709
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Basic Information
| ChEMBL ID | CHEMBL220709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYQFMKJXWOUBBI-NZQKXSOJSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
4.82
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.36
IC50 1 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.36 | 6.4633 | 44.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 44.0 | nM | 7.36 | Negative inotropic activity against potassium-induced contraction in guinea pig ... | 20509610 |
| NON-PROTEIN TARGET | EC50 | = | 150.0 | nM | 6.82 | Antiarrhythmic activity in sinusoidal alternating current-induced guinea pig lef... | 20509610 |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Displacement of [3H]batrachotoxin from sodium channel in rat brain | 17228875 |
| NON-PROTEIN TARGET | EC50 | = | 6140.0 | nM | 5.21 | Negative chronotropic activity against potassium-induced contraction in guinea p... | 20509610 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20509610 | 10.1021/jm100298d | NON-PROTEIN TARGET | 11 |
| 20509610 | 10.1021/jm100298d | Molecular identity unknown | 10 |
| 20509610 | 10.1021/jm100298d | Heart | 5 |
| 17228875 | 10.1021/jm060878m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine