Compound Detail
CHEMBL21575
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Basic Information
| ChEMBL ID | CHEMBL21575 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVAWKMIGJCZPDD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.04
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.75
Ki 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 6.17 | 6.17 | 675.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 4.78 | 4.78 | 16600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 675.0 | nM | 6.17 | Inhibitory constant against calcium channel receptors (CCRs) | - |
| Voltage-gated L-type calcium channel | IC50 | = | 1800.0 | nM | 5.75 | Displacement of [3H]nitrendipine from calcium channel receptors (CCRs) | - |
| Cavia porcellus | IC50 | = | 16600.0 | nM | 4.78 | 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