Compound Detail
CHEMBL104401
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Basic Information
| ChEMBL ID | CHEMBL104401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKXXXZWVEXHHAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
390.3
MW (Da)
5.57
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 6.37 | 6.37 | 426.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.06 | 5.06 | 8730.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 426.0 | nM | 6.37 | Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor | 9301675 |
| GABA-A receptor; anion channel | IC50 | = | 8730.0 | nM | 5.06 | Displacement of [3H]flunitrazepam from rat brain GABA-A Benzodiazepine receptor | 9301675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301675 | 10.1021/jm970112+ | GABA-A receptor; anion channel | 1 |
| 9301675 | 10.1021/jm970112+ | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine