Compound Detail
CHEMBL10450
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Basic Information
| ChEMBL ID | CHEMBL10450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOTGUJCMDOQJFB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.78
ALogP
4
HBA
0
HBD
51.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094133 | IC50 | 9.6 | 9.6 | 0.2 | 1 |
| Gamma-aminobutyric acid receptor subunit gamma-1 CHEMBL296 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 0.25 | nM | 9.6 | In vitro inhibition of [35S]TBPS binding to EDTA/water-dialyzed mouse brain P2 m... | 2836586 |
| Gamma-aminobutyric acid receptor subunit gamma-1 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of GABA-stimulated 36Cl- uptake by membrane vesicles of rat cerebral ... | 2836586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2836586 | 10.1021/jm00401a002 | GABA-A receptor; anion channel | 4 |
| 2836586 | 10.1021/jm00401a002 | Mus musculus | 1 |
| 2836586 | 10.1021/jm00401a002 | Gamma-aminobutyric acid receptor subunit gamma-1 | 1 |
Data from ChEMBL 36 via Core Engine