Compound Detail
CHEMBL538722
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Basic Information
| ChEMBL ID | CHEMBL538722 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HODDRLXDVNIATC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189406 |
| Active Moiety | CHEMBL1189406 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.1
MW (Da)
2.51
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA B receptor CHEMBL2111474 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA B receptor | IC50 | = | 11000.0 | nM | 4.96 | Displacement of [3H]baclofen from gamma-aminobutyric-acid B receptor | 1849996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1849996 | 10.1021/jm00108a011 | GABA-A receptor; anion channel | 1 |
| 1849996 | 10.1021/jm00108a011 | GABA B receptor | 1 |
Data from ChEMBL 36 via Core Engine