Compound Detail
CHEMBL137689
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Basic Information
| ChEMBL ID | CHEMBL137689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHXPNORUCCBOCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.4
MW (Da)
4.93
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 3.9 | nM | 8.41 | Binding affinity against peripheral benzodiazepine receptor( PBR). | 8863805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8863805 | 10.1021/jm960325j | Translocator protein | 1 |
| 8863805 | 10.1021/jm960325j | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine