Compound Detail
CHEMBL1097176
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Basic Information
| ChEMBL ID | CHEMBL1097176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVVHMNWUPDMNJO-UHFFFAOYSA-N |
1
Targets
3
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
5.40
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.34
Kd 1 meas. best 8.5
Ki 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Kd | 8.5 | 8.5 | 3.2 | 1 |
| Translocator protein CHEMBL4552 | Ki | 7.42 | 7.42 | 37.9 | 1 |
| Translocator protein CHEMBL4552 | IC50 | 7.34 | 7.34 | 45.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Kd | = | 3.17 | nM | 8.5 | Irreversible binding affinity to TSPO in rat kidney mitochondrial membrane | 20438080 |
| Translocator protein | Ki | = | 37.9 | nM | 7.42 | Displacement of [3H]Ro5-4864 from TSPO in rat kidney mitochondrial membrane | 20438080 |
| Translocator protein | IC50 | = | 45.6 | nM | 7.34 | Displacement of [3H]Ro5-4864 from TSPO in rat kidney mitochondrial membrane | 20438080 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20438080 | 10.1021/jm100100q | Translocator protein | 5 |
Data from ChEMBL 36 via Core Engine