Compound Detail
CHEMBL382236
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL382236 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LSPSAOVCFMJODL-PBFFYVTQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
5.16
ALogP
5
HBA
2
HBD
79.1
PSA (Ų)
0.66
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | IC50 | = | 44.0 | nM | 7.36 | Inhibitory activity against L-type calcium channel in SD rat thoracic aorta by M... | 16309909 |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 2900.0 | nM | 5.54 | Inhibitory activity against N-type calcium channel by calcium influx into IMR32 ... | 16309909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16309909 | 10.1016/j.bmcl.2005.11.021 | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
| 16309909 | 10.1016/j.bmcl.2005.11.021 | Voltage-gated L-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine