Compound Detail
CHEMBL102052
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Basic Information
| ChEMBL ID | CHEMBL102052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCEKMNJYZIZWOQ-DHIUTWEWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
4.99
ALogP
5
HBA
0
HBD
34.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 5.62 | 5.62 | 2407.0 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 2407.0 | nM | 5.62 | Ability to inhibit [3H]-PK 11195 binding to peripheral-type benzodiazepine recep... | 8709127 |
| Voltage-gated L-type calcium channel | IC50 | = | 5200.0 | nM | 5.28 | Ability to inhibit [3H]nitrendipine binding to the calcium channel receptor(CCR)... | 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 |
Data from ChEMBL 36 via Core Engine