Compound Detail
CHEMBL412849
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 | CHEMBL412849 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMUCSPIWXNWALG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
5.42
ALogP
3
HBA
0
HBD
33.2
PSA (Ų)
0.67
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL4478 | IC50 | 5.88 | 5.88 | 1320.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 1320.0 | nM | 5.88 | Inhibition of calcium channel Cav2.2 in IMR32 cells | 17134896 |
| Unchecked | IC50 | = | 2010.0 | nM | 5.7 | Inhibition of calcium channel L type in IMR32 cells | 17134896 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17134896 | 10.1016/j.bmcl.2006.10.098 | Unchecked | 2 |
| 17134896 | 10.1016/j.bmcl.2006.10.098 | Voltage-dependent N-type calcium channel subunit alpha-1B | 1 |
Data from ChEMBL 36 via Core Engine