Compound Detail
CHEMBL4216687
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Basic Information
| ChEMBL ID | CHEMBL4216687 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVLLKIOUTFTWMC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.47
ALogP
5
HBA
1
HBD
59.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1I CHEMBL5558 | IC50 | 9.04 | 9.04 | 0.9 | 1 |
| Voltage-dependent T-type calcium channel subunit alpha-1G CHEMBL4641 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1I | IC50 | = | 0.92 | nM | 9.04 | Inhibition of recombinant Cav3.3 (unknown origin) expressed in HEK293 cells asse... | 29116786 |
| Voltage-dependent T-type calcium channel subunit alpha-1G | IC50 | = | 3.2 | nM | 8.49 | Inhibition of recombinant Cav3.1 (unknown origin) expressed in HEK293 cells asse... | 29116786 |
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 7.8 | nM | 8.11 | Inhibition of recombinant Cav3.2 (unknown origin) expressed in HEK293 cells asse... | 29116786 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29116786 | 10.1021/acs.jmedchem.7b01236 | Voltage-dependent T-type calcium channel subunit alpha-1I | 1 |
| 29116786 | 10.1021/acs.jmedchem.7b01236 | Voltage-dependent T-type calcium channel subunit alpha-1H | 1 |
| 29116786 | 10.1021/acs.jmedchem.7b01236 | Voltage-dependent T-type calcium channel subunit alpha-1G | 1 |
Data from ChEMBL 36 via Core Engine