Compound Detail
CHEMBL135807
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Basic Information
| ChEMBL ID | CHEMBL135807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHPGHALYSSHBTF-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
401.5
MW (Da)
4.08
ALogP
5
HBA
0
HBD
46.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 8.14 | 7.8333 | 7.2 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 7.2 | nM | 8.14 | Inhibition of [3H]PK11195 binding to Peripheral type benzodiazepine receptor (PB... | 12213069 |
| Translocator protein | Ki | = | 15.0 | nM | 7.82 | Inhibition of [3H]Ro-5-4864 binding to mitochondrial rat testis Peripheral type ... | 12213069 |
| Translocator protein | Ki | = | 29.0 | nM | 7.54 | Inhibition of [3H]PK11195 binding to mitochondrial rat testis Peripheral type be... | 12213069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213069 | 10.1021/jm020849l | Translocator protein | 3 |
| 12213069 | 10.1021/jm020849l | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine