Compound Detail
CHEMBL171331
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Basic Information
| ChEMBL ID | CHEMBL171331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGIACWYLNZMXMN-VOTSOKGWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
184.2
MW (Da)
1.57
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-hydroxybutyrate receptor CHEMBL3558 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-hydroxybutyrate receptor | IC50 | = | 3.3 | nM | 8.48 | Binding affinity towards [3H]GHB binding site | 3361576 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3361576 | 10.1021/jm00400a001 | Gamma-hydroxybutyrate receptor | 3 |
Data from ChEMBL 36 via Core Engine