Compound Detail
CHEMBL113304
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Basic Information
| ChEMBL ID | CHEMBL113304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUUPFUIGNBPCAY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
153.1
MW (Da)
-0.79
ALogP
3
HBA
3
HBD
83.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| GABA B receptor CHEMBL2111474 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | IC50 | = | 29.0 | nM | 7.54 | Inhibition of [3H]CGP-27492 binding to cat Gamma-aminobutyric acid type B recept... | 7650684 |
| GABA B receptor | IC50 | = | 77.0 | nM | 7.11 | Inhibition of [3H]CGP-27492 binding to Gamma-aminobutyric acid type B receptor o... | 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