Compound Detail
CHEMBL136432
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Basic Information
| ChEMBL ID | CHEMBL136432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHHGZODYFZPCFX-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.58
ALogP
5
HBA
1
HBD
35.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.26
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | Ki | 6.19 | 6.19 | 640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 5.5 | nM | 8.26 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement at calc... | 7473567 |
| Voltage-gated L-type calcium channel | IC50 | = | 15.0 | nM | 7.82 | Inhibition of [3H]nitrendipine binding at L-type [Ca2+] channel in rat cortex ho... | 7473567 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | Ki | = | 640.0 | nM | 6.19 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement from ra... | 7473567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473567 | 10.1021/jm00022a005 | Cavia porcellus | 5 |
| 7473567 | 10.1021/jm00022a005 | Voltage-gated L-type calcium channel | 2 |
| 7473567 | 10.1021/jm00022a005 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine