Compound Detail
CHEMBL5275028
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Basic Information
| ChEMBL ID | CHEMBL5275028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RORJEBIAFYWZOQ-FNNGWQQSSA-N |
| Parent Compound | CHEMBL5315993 |
| Active Moiety | CHEMBL5315993 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.4
MW (Da)
5.36
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL5742 | Ki | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.3 | nM | 9.52 | Binding affinity to mitochondrial TSPO (unknown origin) | 34254805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34254805 | 10.1021/acs.jmedchem.1c00379 | Translocator protein | 1 |
| 34254805 | 10.1021/acs.jmedchem.1c00379 | ADMET | 1 |
| 34254805 | 10.1021/acs.jmedchem.1c00379 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine