Compound Detail
CHEMBL146488
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Basic Information
| ChEMBL ID | CHEMBL146488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWTPTEHWQUNGQF-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.59
ALogP
7
HBA
1
HBD
79.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.08
Ki 1 meas. best 6.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | EC50 | 7.08 | 7.08 | 84.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-3 CHEMBL3026 | EC50 | 6.93 | 6.93 | 117.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.88 | 6.88 | 133.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-2 | EC50 | = | 84.0 | nM | 7.08 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
| Gamma-aminobutyric acid receptor subunit alpha-3 | EC50 | = | 117.0 | nM | 6.93 | Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha... | 12408715 |
| GABA-A receptor; anion channel | Ki | = | 133.0 | nM | 6.88 | Binding affinity was determined by displacement of [3H]flumazenil from rat corte... | 12408715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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-1 | 1 |
| 12408715 | 10.1021/jm0202019 | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
Data from ChEMBL 36 via Core Engine