Compound Detail
CHEMBL24085
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Basic Information
| ChEMBL ID | CHEMBL24085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVRYKHLITVVFBH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
516.7
MW (Da)
6.04
ALogP
7
HBA
1
HBD
53.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Ki 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 7.09 | 7.09 | 81.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 6.66 | 6.66 | 218.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 6.66 | 6.66 | 218.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 81.0 | nM | 7.09 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement at L-ty... | 7473567 |
| Voltage-gated L-type calcium channel | IC50 | = | 218.0 | nM | 6.66 | Inhibition of [3H]nitrendipine binding at L-type [Ca2+] channel in rat cortex ho... | 7473567 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 218.78 | nM | 6.66 | Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex ho... | 9016337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473567 | 10.1021/jm00022a005 | Cavia porcellus | 4 |
| 7473567 | 10.1021/jm00022a005 | Voltage-gated L-type calcium channel | 2 |
| 9016337 | 10.1021/jm9605647 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
Data from ChEMBL 36 via Core Engine