Compound Detail
CHEMBL3221247
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Basic Information
| ChEMBL ID | CHEMBL3221247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKONNNAFOIOGDI-FBMGVBCBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
403.6
MW (Da)
6.68
ALogP
3
HBA
1
HBD
29.1
PSA (Ų)
0.62
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | IC50 | 4.69 | 4.69 | 20300.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4138 | IC50 | 4.2 | 4.2 | 63100.0 | 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 | IC50 | = | 20300.0 | nM | 4.69 | Inhibition of rat Cav1.2 channel in rat mesenteric artery assessed as relaxation... | 24754640 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 63100.0 | nM | 4.2 | Inhibition of human Cav1.3 channel in human SH-SY5Y cells assessed as 70 mM K+ i... | 24754640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24754640 | 10.1021/jm500263v | SH-SY5Y | 6 |
| - | 10.1039/C3MD20345J | SH-SY5Y | 5 |
| 24754640 | 10.1021/jm500263v | Voltage-dependent L-type calcium channel subunit alpha-1C | 2 |
| 24754640 | 10.1021/jm500263v | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
| 24754640 | 10.1021/jm500263v | Unchecked | 1 |
| 24754640 | 10.1021/jm500263v | Hippocampus | 1 |
Data from ChEMBL 36 via Core Engine