Compound Detail
CHEMBL113396
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Basic Information
| ChEMBL ID | CHEMBL113396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCFBFTKQKRGULP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
0.62
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| GABA-B receptor CHEMBL2111463 | IC50 | 6.78 | 6.78 | 166.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 140.0 | nM | 6.85 | Inhibition of [3H]CGP-27492 binding to Gamma-aminobutyric acid type B receptor o... | 7650684 |
| GABA-B receptor | IC50 | = | 166.0 | nM | 6.78 | Inhibition of [3H]CGP-27492 binding to cat Gamma-aminobutyric acid type B recept... | 7650684 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7650684 | 10.1021/jm00017a015 | GABA B receptor | 1 |
| 7650684 | 10.1021/jm00017a015 | GABA-B receptor | 1 |
Data from ChEMBL 36 via Core Engine