Compound Detail
CHEMBL413572
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Basic Information
| ChEMBL ID | CHEMBL413572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHFPLLZGLBOAJJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.2
MW (Da)
3.03
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 CHEMBL4676 | Ki | 8.28 | 8.275 | 5.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | Ki | = | 5.3 | nM | 8.28 | Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in mu... | 16380257 |
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | Ki | = | 5.37 | nM | 8.27 | Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in mu... | 16380257 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16380257 | 10.1016/j.bmcl.2005.11.108 | Voltage-dependent calcium channel subunit alpha-2/delta-1 | 2 |
Data from ChEMBL 36 via Core Engine