Compound Detail
CHEMBL345843
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Basic Information
| ChEMBL ID | CHEMBL345843 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JTOAMNKQXXGKQO-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.5
MW (Da)
4.26
ALogP
7
HBA
0
HBD
75.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.96
Kd 1 meas. best 6.31
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Kd | 6.31 | 6.31 | 488.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Ki | 6.3 | 6.3 | 505.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 5.96 | 5.96 | 1100.0 | 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 | Kd | = | 488.0 | nM | 6.31 | Inhibition of [3H]nitrendipine binding to calcium channels of guinea pig myocard... | 2435903 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | Ki | = | 505.0 | nM | 6.3 | Inhibition of [3H]diltiazem binding to calcium channels of guinea pig myocardium | 2435903 |
| Oryctolagus cuniculus | IC50 | = | 1100.0 | nM | 5.96 | 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