Compound Detail
CHEMBL139134
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Basic Information
| ChEMBL ID | CHEMBL139134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVAWKMIGJCZPDD-CRAIPNDOSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.04
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.36
Ki 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 8.36 | 8.36 | 4.4 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 2.0 | nM | 8.7 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement at L-ty... | 7473567 |
| Voltage-gated L-type calcium channel | IC50 | = | 4.4 | nM | 8.36 | 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 | = | 35.0 | nM | 7.46 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement from ra... | 7473567 |
| Cavia porcellus | IC50 | = | 16600.0 | nM | 4.78 | The compound was tested for the calcium antagonistic activity on K+-depolarized ... | 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