Compound Detail
CHEMBL2381007
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Basic Information
| ChEMBL ID | CHEMBL2381007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPPPADHTNWDRJH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
2.82
ALogP
7
HBA
1
HBD
111.0
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2830 | IC50 | 6.77 | 6.77 | 170.0 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 6.06 | 6.06 | 880.0 | 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 | = | 170.0 | nM | 6.77 | Antagonist activity at rabbit voltage-dependent L-type calcium channel Cav1.2alp... | 23688558 |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 880.0 | nM | 6.06 | Antagonist activity at rat voltage-dependent L-type calcium channel Cav1.3alpha-... | 23688558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23651412 | 10.1021/jm4005048 | Unchecked | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Unchecked | 1 |
| 23688558 | 10.1016/j.bmc.2013.04.054 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine