Compound Detail
CHEMBL358301
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Basic Information
| ChEMBL ID | CHEMBL358301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQMRSJAKTBDNHB-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.79
ALogP
5
HBA
1
HBD
53.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.77
Ki 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.58 | 7.58 | 26.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-1 CHEMBL1962 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | EC50 | 6.55 | 6.55 | 284.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 CHEMBL3026 | EC50 | 6.46 | 6.46 | 344.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 26.0 | nM | 7.58 | Binding affinity was determined by displacement of [3H]flumazenil from rat corte... | 12408715 |
| Gamma-aminobutyric acid receptor subunit alpha-1 | EC50 | = | 170.0 | nM | 6.77 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | EC50 | = | 284.0 | nM | 6.55 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | EC50 | = | 344.0 | nM | 6.46 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-3 | 2 |
| 12408715 | 10.1021/jm0202019 | GABA-A receptor; anion channel | 1 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
Data from ChEMBL 36 via Core Engine