Compound Detail
CHEMBL3817876
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Basic Information
| ChEMBL ID | CHEMBL3817876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VUZVNPXBGKGFPT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.03
ALogP
6
HBA
0
HBD
57.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.92
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Left atrium CHEMBL2367407 | EC50 | 5.92 | 5.92 | 1190.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.32 | 5.32 | 4820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Left atrium | EC50 | = | 1190.0 | nM | 5.92 | Negative inotropic activity in potassium depolarized guinea pig left atrium asse... | 26962886 |
| NON-PROTEIN TARGET | IC50 | = | 4820.0 | nM | 5.32 | Relaxant activity in potassium depolarized guinea pig ileum longitudinal smooth ... | 26962886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26962886 | 10.1021/acs.jmedchem.6b00030 | Left atrium | 2 |
| 26962886 | 10.1021/acs.jmedchem.6b00030 | NON-PROTEIN TARGET | 2 |
| 26962886 | 10.1021/acs.jmedchem.6b00030 | Right atrium | 1 |
| 26962886 | 10.1021/acs.jmedchem.6b00030 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine