Compound Detail
CHEMBL1814581
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Basic Information
| ChEMBL ID | CHEMBL1814581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWVQLFRPVKMJMA-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.24
ALogP
8
HBA
1
HBD
82.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.41
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.41 | 5.735 | 390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 260.0 | nM | 6.58 | Negative ionotropic activity in potassium depolarized guinea pig longitudinal sm... | 21568323 |
| NON-PROTEIN TARGET | EC50 | = | 390.0 | nM | 6.41 | Negative ionotropic activity against potassium-induced contraction in guinea pig... | 21568323 |
| NON-PROTEIN TARGET | EC50 | = | 8630.0 | nM | 5.06 | Negative chronotropic activity against potassium-induced contraction in guinea p... | 21568323 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21568323 | 10.1021/jm200199r | NON-PROTEIN TARGET | 5 |
| 21568323 | 10.1021/jm200199r | Cystic fibrosis transmembrane conductance regulator | 2 |
| 21568323 | 10.1021/jm200199r | Unchecked | 2 |
| 21568323 | 10.1021/jm200199r | Aorta | 1 |
Data from ChEMBL 36 via Core Engine