Compound Detail
CHEMBL3408531
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Basic Information
| ChEMBL ID | CHEMBL3408531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFZOBHSCNYUKMJ-QGZVFWFLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
459.2
MW (Da)
4.47
ALogP
6
HBA
0
HBD
57.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.01
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Left atrium CHEMBL2367407 | EC50 | 8.01 | 8.01 | 9.8 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.34 | 5.34 | 4580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Left atrium | EC50 | = | 9.8 | nM | 8.01 | Negative ionotropic activity in guinea pig left atrium assessed as decrease in d... | 25596477 |
| ADMET | IC50 | = | 4580.0 | nM | 5.34 | Antagonist activity at Cav1.2b in K+-depolarized guinea pig ileum longitudinal s... | 25596477 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25596477 | 10.1016/j.ejmech.2014.12.044 | Left atrium | 2 |
| 25596477 | 10.1016/j.ejmech.2014.12.044 | ADMET | 2 |
| 25596477 | 10.1016/j.ejmech.2014.12.044 | Right atrium | 1 |
| 25596477 | 10.1016/j.ejmech.2014.12.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine