Compound Detail
CHEMBL4571892
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Basic Information
| ChEMBL ID | CHEMBL4571892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NGYKELBMVXBFSM-CQSZACIVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
4.08
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.12 | 6.12 | 759.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.11 | 6.11 | 769.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.02 | 6.02 | 948.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]-flunitrazepam from human GABAA alpha5beta3gamma2 expressed ... | 31738537 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 759.0 | nM | 6.12 | Displacement of [3H]-flunitrazepam from human GABAA alpha1beta3gamma2 expressed ... | 31738537 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 769.0 | nM | 6.11 | Displacement of [3H]-flunitrazepam from human GABAA alpha3beta3gamma2 expressed ... | 31738537 |
| Unchecked | Ki | = | 948.0 | nM | 6.02 | Displacement of [3H]-flunitrazepam from human GABAA alpha2beta3gamma2 expressed ... | 31738537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Unchecked | 4 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-2 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-3 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine