Compound Detail
CHEMBL282448
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 | CHEMBL282448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFNIZSUPEXULRD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
4.22
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.81
Ki 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 6.24 | 6.24 | 581.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 4.49 | 4.49 | 32400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 581.0 | nM | 6.24 | Inhibitory constant against calcium channel receptors (CCRs) | - |
| Voltage-gated L-type calcium channel | IC50 | = | 1550.0 | nM | 5.81 | Displacement of [3H]nitrendipine from calcium channel receptors (CCRs) | - |
| Cavia porcellus | IC50 | = | 32400.0 | nM | 4.49 | Calcium antagonist potency on K+ depolarized guinea pig aortic strips | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80337-1 | Cavia porcellus | 5 |
| - | 10.1016/S0960-894X(01)80337-1 | Voltage-gated L-type calcium channel | 2 |
Data from ChEMBL 36 via Core Engine