Compound Detail
CHEMBL316555
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL316555 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJWHSGYXODJKPL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.3
MW (Da)
4.79
ALogP
3
HBA
0
HBD
37.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Translocator protein CHEMBL4552 | IC50 | 5.69 | 5.69 | 2040.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.08 | 5.08 | 8380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Translocator protein | IC50 | = | 2040.0 | nM | 5.69 | Displacement of Ro 5-4864 from peripheral (renal cell) Benzodiazepine receptor | 9301675 |
| GABA-A receptor; anion channel | IC50 | = | 8380.0 | nM | 5.08 | Displacement of [3H]flunitrazepam from rat brain GABA-A Benzodiazepine receptor | 9301675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9301675 | 10.1021/jm970112+ | GABA-A receptor; anion channel | 1 |
| 9301675 | 10.1021/jm970112+ | Translocator protein | 1 |
Data from ChEMBL 36 via Core Engine