Compound Detail
CHEMBL4092332
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Basic Information
| ChEMBL ID | CHEMBL4092332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CAJJWNTVLDPILI-UHFFFAOYSA-N |
3
Targets
9
Activities
1
Assay Types
2
PK Parameters
13
Publications
0
Known Names
Molecular Properties
370.2
MW (Da)
3.59
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 CHEMBL4296054 | EC50 | 9.0 | 6.6575 | 1.0 | 4 |
| Gamma-aminobutyric acid receptor subunit alpha-1/alpha-6/beta-3/gamma-2 CHEMBL5291947 | EC50 | 8.4 | 6.0 | 4.0 | 3 |
| Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 CHEMBL4296062 | EC50 | 5.22 | 5.11 | 6000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.7 | hr | Homo sapiens |
| T1/2 | 1.9 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31186146 | 10.1016/j.bmc.2019.06.006 | Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 | 28 |
| 31186146 | 10.1016/j.bmc.2019.06.006 | Gamma-aminobutyric acid receptor subunit alpha-1/alpha-6/beta-3/gamma-2 | 24 |
| 31186146 | 10.1016/j.bmc.2019.06.006 | Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 | 20 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | Liver | 4 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | No relevant target | 2 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | GABA A receptor alpha-4/beta-3/gamma-2 | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | Mus musculus | 1 |
| 29481759 | 10.1021/acs.jmedchem.7b01664 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine