Compound Detail
CHEMBL335085
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Basic Information
| ChEMBL ID | CHEMBL335085 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWQLSDZMLCUREL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
5.17
ALogP
4
HBA
0
HBD
43.7
PSA (Ų)
0.63
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | Ki | 9.16 | 9.16 | 0.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | Ki | = | 0.69 | nM | 9.16 | Inhibition of [3H]PK11195 binding to Peripheral type benzodiazepine receptor (PB... | 12213069 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12213069 | 10.1021/jm020849l | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine