Compound Detail
CHEMBL52991
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Basic Information
| ChEMBL ID | CHEMBL52991 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTLZUTLQKYIVRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
4.14
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of [35S]TBPS binding to GABA-A receptor in rat cerebral cortex. | 9599235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9599235 | 10.1021/jm970681h | GABA-A receptor; anion channel | 1 |
| 9599235 | 10.1021/jm970681h | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine