Compound Detail
CHEMBL537031
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Basic Information
| ChEMBL ID | CHEMBL537031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDJWHGFKDWOAHQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL24675 |
| Active Moiety | CHEMBL24675 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
500.7
MW (Da)
6.37
ALogP
6
HBA
0
HBD
35.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Ki 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]nitrendipine from calcium channel receptor | - |
| Voltage-gated L-type calcium channel | IC50 | = | 53.0 | nM | 7.28 | Displacement of [3H]nitrendipine from calcium channel receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80212-7 | Voltage-gated L-type calcium channel | 2 |
Data from ChEMBL 36 via Core Engine