Compound Detail
CHEMBL4216298
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Basic Information
| ChEMBL ID | CHEMBL4216298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRXNDWVQEQWQIM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
495.2
MW (Da)
5.98
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta CHEMBL4296053 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3 CHEMBL4296052 | IC50 | 5.51 | 5.51 | 3060.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 CHEMBL4296054 | IC50 | 5.47 | 5.47 | 3390.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta | IC50 | = | 1200.0 | nM | 5.92 | Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3delta expressed in ... | 29451785 |
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3 | IC50 | = | 3060.0 | nM | 5.51 | Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3 expressed in HEK29... | 29451785 |
| Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 | IC50 | = | 3390.0 | nM | 5.47 | Displacement of [3H]EBOB from rat GABA-A receptor alpha6beta3gamma2 expressed in... | 29451785 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29451785 | 10.1021/acs.jmedchem.7b01484 | Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/delta | 2 |
| 29451785 | 10.1021/acs.jmedchem.7b01484 | Gamma-aminobutyric acid receptor subunit alpha-6/beta-3/gamma-2 | 2 |
| 29451785 | 10.1021/acs.jmedchem.7b01484 | Gamma-aminobutyric acid receptor subunit alpha-6/beta-3 | 2 |
Data from ChEMBL 36 via Core Engine