Compound Detail
CHEMBL85948
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Basic Information
| ChEMBL ID | CHEMBL85948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FWDDUMUBUXMUGH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
219.7
MW (Da)
1.92
ALogP
3
HBA
2
HBD
63.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 4.34 | 4.34 | 45300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 45300.0 | nM | 4.34 | Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B recepto... | 1652022 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1652022 | 10.1021/jm00112a033 | GABA-A receptor; anion channel | 1 |
| 1652022 | 10.1021/jm00112a033 | GABA B receptor | 1 |
Data from ChEMBL 36 via Core Engine