Compound Detail
CHEMBL1783253
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Basic Information
| ChEMBL ID | CHEMBL1783253 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVAHCWLEKOONFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
364.4
MW (Da)
2.79
ALogP
6
HBA
2
HBD
99.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-2 CHEMBL4956 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.4 | mL.min-1.g-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]flunitrazepam from benzodiazepine binding site GABAA alpha2b... | 21498079 |
| Gamma-aminobutyric acid receptor subunit alpha-2 | Ki | = | 10.0 | nM | 8.0 | Binding affinity to GABA-A alpha2 (unknown origin) | 31738537 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-2 | 2 |
| 21498079 | 10.1016/j.bmc.2011.03.035 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 21498079 | 10.1016/j.bmc.2011.03.035 | No relevant target | 1 |
| 21498079 | 10.1016/j.bmc.2011.03.035 | Liver microsomes | 1 |
| 21498079 | 10.1016/j.bmc.2011.03.035 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 31738537 | 10.1021/acs.jmedchem.9b01312 | Gamma-aminobutyric acid receptor subunit alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine