Compound Detail
CHEMBL158853
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Basic Information
| ChEMBL ID | CHEMBL158853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZLQGKDGWRSDGQ-FBMGVBCBSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
4.95
ALogP
6
HBA
1
HBD
85.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Kd 1 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2830 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Kd | 6.44 | 6.44 | 360.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 140.0 | nM | 6.85 | Reduction in amplitude of calcium-dependent slow-response action potential by bl... | 2435903 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | Kd | = | 360.0 | nM | 6.44 | Inhibition of [3H]nitrendipine binding to calcium channels of guinea pig myocard... | 2435903 |
| Oryctolagus cuniculus | IC50 | = | 1200.0 | nM | 5.92 | Calcium channel blocking activity in rabbit | 2435903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2435903 | 10.1021/jm00387a009 | Voltage-dependent L-type calcium channel subunit alpha-1C | 2 |
| 2435903 | 10.1021/jm00387a009 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine