Compound Detail
CHEMBL4547372
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Basic Information
| ChEMBL ID | CHEMBL4547372 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ANCWBXJZUCHVHL-GSVOUGTGSA-N |
6
Targets
12
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
-0.11
ALogP
4
HBA
2
HBD
75.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 10 meas. best 6.92
Ki 2 meas. best 7.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.23 | 7.23 | 58.9 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | EC50 | 6.92 | 6.92 | 120.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.43 | 6.43 | 370.0 | 2 |
| Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 CHEMBL4523640 | EC50 | 6.23 | 5.73 | 590.0 | 2 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | EC50 | 5.82 | 5.815 | 1500.0 | 2 |
| Gamma-aminobutyric acid receptor subunit rho-1 CHEMBL3561 | EC50 | 5.27 | 5.27 | 5370.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit rho-1 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Gamma-aminobutyric acid receptor subunit alpha-4/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | Unchecked | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 3 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | GABA-A receptor; anion channel | 2 |
| 31117514 | 10.1021/acs.jmedchem.9b00026 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine