Compound Detail
CHEMBL5170217
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Basic Information
| ChEMBL ID | CHEMBL5170217 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQSIRVPTCKHWKR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
3.14
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 CHEMBL2095172 | Ki | 8.8 | 8.8 | 1.6 | 1 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 CHEMBL4523641 | Ki | 8.71 | 8.71 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 | Ki | = | 0.99 | nM | 9.0 | Displacement of [3H]flunitrazepam from human recombinant alpha2beta2gamma2 GABAA... | 35218882 |
| GABA-A receptor; alpha-1/beta-2/gamma-2 | Ki | = | 1.6 | nM | 8.8 | Displacement of [3H]flunitrazepam from human recombinant alpha1beta2gamma2 GABAA... | 35218882 |
| Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | Ki | = | 1.96 | nM | 8.71 | Displacement of [3H]flunitrazepam from human recombinant alpha5beta2gamma2 GABAA... | 35218882 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA A receptor alpha-2/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | GABA A receptor alpha-3/beta-2/gamma-2 | 1 |
| 35218882 | 10.1016/j.bmcl.2022.128637 | Gamma-aminobutyric acid receptor subunit alpha-5/beta-2/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine