Compound Detail
CHEMBL2348446
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Basic Information
| ChEMBL ID | CHEMBL2348446 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSQMITXEUGIGFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
307.3
MW (Da)
1.80
ALogP
6
HBA
0
HBD
79.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 7.64 | 7.64 | 22.7 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.62 | 7.62 | 24.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 22.7 | nM | 7.64 | Displacement of [3H]Ro15-1788 from recombinant GABA-A alpha1beta2gamma2 receptor... | 23490154 |
| Unchecked | Ki | = | 24.1 | nM | 7.62 | Displacement of [3H]Ro15-1788 from GABA-A receptor benzodiazepine binding site i... | 23490154 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23490154 | 10.1016/j.bmc.2013.02.027 | Rattus norvegicus | 6 |
| 23490154 | 10.1016/j.bmc.2013.02.027 | Mus musculus | 5 |
| 23490154 | 10.1016/j.bmc.2013.02.027 | Gamma-aminobutyric acid receptor subunit alpha-5 | 1 |
| 23490154 | 10.1016/j.bmc.2013.02.027 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 23490154 | 10.1016/j.bmc.2013.02.027 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 23490154 | 10.1016/j.bmc.2013.02.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine