Compound Detail
CHEMBL454865
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Basic Information
| ChEMBL ID | CHEMBL454865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYODDIOYGKHDCF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
1.48
ALogP
5
HBA
0
HBD
62.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-5 CHEMBL5112 | Kd | 8.82 | 8.82 | 1.5 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | Kd | 7.69 | 7.69 | 20.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-5 | Kd | = | 1.5 | nM | 8.82 | Binding affinity to GABAA alpha-5-beta-2-gamma-2 receptor | 18537233 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | Kd | = | 20.4 | nM | 7.69 | Binding affinity to GABAA alpha-1-beta-2-gamma-2 receptor | 18537233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18537233 | 10.1021/jm701433b | Unchecked | 5 |
| 18537233 | 10.1021/jm701433b | Gamma-aminobutyric acid receptor subunit alpha-5 | 2 |
| 18537233 | 10.1021/jm701433b | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
| 18537233 | 10.1021/jm701433b | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine