Compound Detail
CHEMBL3613367
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Basic Information
| ChEMBL ID | CHEMBL3613367 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOEBBVLCYBQRPU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
3.98
ALogP
5
HBA
0
HBD
60.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 61.0 | nM | 7.21 | Displacement of [3H]-PK11195 from rat heart membrane TSPO | 26218651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26218651 | 10.1016/j.ejmech.2015.07.033 | Unchecked | 2 |
| 26218651 | 10.1016/j.ejmech.2015.07.033 | No relevant target | 2 |
| 26218651 | 10.1016/j.ejmech.2015.07.033 | Liver microsome | 2 |
| 26218651 | 10.1016/j.ejmech.2015.07.033 | Translocator protein | 1 |
| 26218651 | 10.1016/j.ejmech.2015.07.033 | Liver | 1 |
Data from ChEMBL 36 via Core Engine