Compound Detail
CHEMBL381281
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Basic Information
| ChEMBL ID | CHEMBL381281 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTFTWVIFFSIXMK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.6
MW (Da)
3.68
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 CHEMBL4676 | Ki | 7.76 | 7.755 | 17.4 | 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 | = | 17.38 | nM | 7.76 | Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in mu... | 16380257 |
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | Ki | = | 18.0 | nM | 7.75 | 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