Compound Detail
CHEMBL277293
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Basic Information
| ChEMBL ID | CHEMBL277293 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDBYIIBXPLWFTK-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
320.5
MW (Da)
4.73
ALogP
3
HBA
0
HBD
8.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Ki 2 meas. best 6.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 6.93 | 6.93 | 118.0 | 2 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 6.5 | 6.5 | 315.0 | 2 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 118.0 | nM | 6.93 | Calcium antagonistic activity by measuring [3H]nitrendipine displacement at calc... | 7473567 |
| Voltage-gated L-type calcium channel | Ki | = | 118.0 | nM | 6.93 | Displacement of [3H]nitrendipine from calcium channel receptor | - |
| Voltage-gated L-type calcium channel | IC50 | = | 315.0 | nM | 6.5 | 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 | = | 316.23 | nM | 6.5 | Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex ho... | 9016337 |
| Voltage-gated L-type calcium channel | IC50 | = | 315.0 | nM | 6.5 | Displacement of [3H]nitrendipine from calcium channel receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7473567 | 10.1021/jm00022a005 | Cavia porcellus | 6 |
| 7473567 | 10.1021/jm00022a005 | Voltage-gated L-type calcium channel | 2 |
| - | 10.1016/S0960-894X(00)80212-7 | Voltage-gated L-type calcium channel | 2 |
| - | 10.1016/S0960-894X(00)80212-7 | Mus musculus | 2 |
| 9016337 | 10.1021/jm9605647 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
Data from ChEMBL 36 via Core Engine