Compound Detail
CHEMBL419405
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Basic Information
| ChEMBL ID | CHEMBL419405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUDJAHZBZAANCY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
1.20
ALogP
6
HBA
1
HBD
68.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Left atrium CHEMBL2367407 | EC50 | 5.18 | 5.18 | 6580.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 5.18 | 5.18 | 6580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 6580.0 | nM | 5.18 | Effective drug concentration for negative inotropic activity was determined; Ran... | 12139458 |
| Left atrium | EC50 | = | 6580.0 | nM | 5.18 | Negative inotropic activity in potassium depolarized guinea pig left atrium asse... | 26962886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12139458 | 10.1021/jm020815d | Cavia porcellus | 6 |
| 19093883 | 10.1021/jm801195k | Unchecked | 5 |
| 19093883 | 10.1021/jm801195k | A2780 | 4 |
| 19093883 | 10.1021/jm801195k | NON-PROTEIN TARGET | 3 |
| 26962886 | 10.1021/acs.jmedchem.6b00030 | Left atrium | 2 |
| 19093883 | 10.1021/jm801195k | Molecular identity unknown | 1 |
| 26962886 | 10.1021/acs.jmedchem.6b00030 | Right atrium | 1 |
| 26962886 | 10.1021/acs.jmedchem.6b00030 | Aorta | 1 |
Data from ChEMBL 36 via Core Engine