Compound Detail
CHEMBL328609
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Basic Information
| ChEMBL ID | CHEMBL328609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEDSMTGXXDIVMG-DNQXCXABSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.0
MW (Da)
5.65
ALogP
6
HBA
0
HBD
43.7
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Ki 1 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 8.82 | 8.82 | 1.5 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 1.5 | nM | 8.82 | Inhibition of [3H]nitrendipine binding to L-type calcium channel receptor(CCR) i... | 8709127 |
| Voltage-gated L-type calcium channel | IC50 | = | 3.3 | nM | 8.48 | Ability to inhibit [3H]nitrendipine binding to the calcium channel receptor(CCR)... | 8709127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709127 | 10.1021/jm960162z | Cavia porcellus | 5 |
| 8709127 | 10.1021/jm960162z | Voltage-gated L-type calcium channel | 2 |
Data from ChEMBL 36 via Core Engine