Compound Detail
CHEMBL450283
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Basic Information
| ChEMBL ID | CHEMBL450283 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMSZQFBSGQAGMS-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
527.7
MW (Da)
6.37
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 9.1 | 8.3867 | 0.8 | 3 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 0.7943 | nM | 9.1 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 1.585 | nM | 8.8 | Displacement of [3H]-PK 11195 from peripheral-type benzodiazepine receptor of ra... | 10508441 |
| Translocator protein | IC50 | = | 55.3 | nM | 7.26 | Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor | 9301675 |
| GABA-A receptor; anion channel | IC50 | = | 10000.0 | nM | 5.0 | Affinity benzodiazepine receptor as ability to displace [3H]flunitrazepam from b... | 10508441 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10508441 | 10.1021/jm991035g | Translocator protein | 2 |
| 10508441 | 10.1021/jm991035g | GABA-A receptor; anion channel | 1 |
| 10508441 | 10.1021/jm991035g | No relevant target | 1 |
| 9301675 | 10.1021/jm970112+ | GABA-A receptor; anion channel | 1 |
| 9301675 | 10.1021/jm970112+ | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine