Compound Detail
CHEMBL2088374
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Basic Information
| ChEMBL ID | CHEMBL2088374 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYVBWMKTLYIKQI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
3.93
ALogP
5
HBA
0
HBD
64.7
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 9.55 | 9.55 | 0.3 | 1 |
| Translocator protein CHEMBL4552 | Ki | 9.54 | 9.54 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.28 | nM | 9.55 | Binding affinity to TSPO (unknown origin) relative to control | 33081988 |
| Translocator protein | Ki | = | 0.29 | nM | 9.54 | Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney memb... | 22884355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22884355 | 10.1016/j.bmc.2012.07.023 | Translocator protein | 1 |
| 22884355 | 10.1016/j.bmc.2012.07.023 | Unchecked | 1 |
| 22884355 | 10.1016/j.bmc.2012.07.023 | Liver | 1 |
| 33081988 | 10.1016/j.ejmech.2020.112924 | Translocator protein | 1 |
| 33081988 | 10.1016/j.ejmech.2020.112924 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine