Compound Detail
CHEMBL416040
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Basic Information
| ChEMBL ID | CHEMBL416040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLPMQAKSYNDMKV-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
375.5
MW (Da)
6.14
ALogP
4
HBA
0
HBD
31.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 7.32 | 7.32 | 47.9 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 48.0 | nM | 7.32 | Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine recep... | 8709127 |
| Translocator protein | IC50 | = | 48.0 | nM | 7.32 | Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine rec... | 8182701 |
| Translocator protein | IC50 | = | 47.86 | nM | 7.32 | Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine... | 7990110 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 610.0 | nM | 6.21 | Ability to inhibit [3H]nitrendipine binding to the L-type calcium channel recept... | 8709127 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709127 | 10.1021/jm960162z | Voltage-gated L-type calcium channel | 1 |
| 8709127 | 10.1021/jm960162z | Translocator protein | 1 |
| 8709127 | 10.1021/jm960162z | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
| 8182701 | 10.1021/jm00036a007 | Translocator protein | 1 |
| 7990110 | 10.1021/jm00050a007 | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine