Compound Detail
CHEMBL33165
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Basic Information
| ChEMBL ID | CHEMBL33165 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCWRHYSPTPPIQP-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
363.4
MW (Da)
4.98
ALogP
5
HBA
0
HBD
40.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 7.47 | 7.47 | 33.9 | 3 |
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL3762 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | IC50 | = | 0.13 | nM | 9.89 | Ability to inhibit [3H]nitrendipine binding to the calcium channel receptor(CCR)... | 8709127 |
| Translocator protein | IC50 | = | 34.0 | nM | 7.47 | Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine recep... | 8709127 |
| Translocator protein | IC50 | = | 34.0 | nM | 7.47 | Displacement of [3H]-PK 11195 from peripheral (mitochondrial) benzodiazepine rec... | 8182701 |
| Translocator protein | IC50 | = | 33.88 | nM | 7.47 | Displacement of [3H]-PK 11195 from rat peripheral (mitochondrial) benzodiazepine... | 7990110 |
| Voltage-dependent L-type calcium channel subunit alpha-1C | IC50 | = | 340.0 | nM | 6.47 | 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 | Cavia porcellus | 4 |
| 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