Compound Detail
CHEMBL4573134
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Basic Information
| ChEMBL ID | CHEMBL4573134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WROSVRBJVGVXHR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.75
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Right atrium CHEMBL2367363 | EC50 | 5.73 | 5.73 | 1870.0 | 1 |
| Left atrium CHEMBL2367407 | EC50 | 5.72 | 5.72 | 1910.0 | 1 |
| Ileum CHEMBL613680 | EC50 | 4.83 | 4.83 | 14660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Right atrium | EC50 | = | 1870.0 | nM | 5.73 | Negative inotropic activity in guinea pig spontaneously beating spontaneously be... | 30530190 |
| Left atrium | EC50 | = | 1910.0 | nM | 5.72 | Negative inotropic activity in guinea pig left atrium assessed as decrease in de... | 30530190 |
| Ileum | EC50 | = | 14660.0 | nM | 4.83 | Inhibition of calcium-induced contraction in K+-depolarized guinea pig ileum | 30530190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Right atrium | 3 |
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Ileum | 2 |
| 30530190 | 10.1016/j.ejmech.2018.12.003 | Left atrium | 2 |
| 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