Compound Detail
CHEMBL12944
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Basic Information
| ChEMBL ID | CHEMBL12944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NEDJMCCDJOYVNT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
2.42
ALogP
7
HBA
0
HBD
74.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 4200.0 | nM | 5.38 | In vitro inhibition of [35S]TBPS binding to GABA-A receptor of rat whole brain m... | 12643922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12643922 | 10.1016/s0960-894x(03)00025-8 | Mus musculus | 1 |
| 12643922 | 10.1016/s0960-894x(03)00025-8 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine