Compound Detail
CHEMBL5193551
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Basic Information
| ChEMBL ID | CHEMBL5193551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RDXBKFJWMSMHBS-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.85
ALogP
4
HBA
0
HBD
46.8
PSA (Ų)
0.54
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.3
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.98 | 6.98 | 105.0 | 1 |
| Translocator protein CHEMBL5742 | EC50 | 4.8 | 4.8 | 15900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]-flunitrazepam from TSPO receptor in Wistar rat brain withou... | 33081988 |
| Unchecked | Ki | = | 105.0 | nM | 6.98 | Binding affinity to CBR (unknown origin) | 33081988 |
| Translocator protein | EC50 | = | 15900.0 | nM | 4.8 | Inhibition of TSPO (unknown origin) in mouse MA-10 cells assessed as increase in... | 33081988 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33081988 | 10.1016/j.ejmech.2020.112924 | Unchecked | 2 |
| 33081988 | 10.1016/j.ejmech.2020.112924 | Translocator protein | 2 |
Data from ChEMBL 36 via Core Engine