Compound Detail
CHEMBL4558734
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Basic Information
| ChEMBL ID | CHEMBL4558734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZQOTOAAFVHBSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.12
ALogP
3
HBA
2
HBD
75.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Left atrium CHEMBL2367407 | EC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Left atrium | EC50 | = | 320.0 | nM | 6.5 | Negative inotropic activity in guinea pig left atrium assessed as decrease in de... | 30530190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Right atrium | 2 |
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Left atrium | 2 |
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Ileum | 1 |
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Aorta | 1 |
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Voltage-gated calcium channel | 1 |
Data from ChEMBL 36 via Core Engine