Compound Detail
CHEMBL1269061
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Basic Information
| ChEMBL ID | CHEMBL1269061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRNSOLSYHZMSCD-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.67
ALogP
3
HBA
1
HBD
55.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 7.75 | 7.75 | 18.0 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.94 | 6.94 | 116.0 | 1 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 6.67 | 6.67 | 216.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 18.0 | nM | 7.75 | Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-1-beta-3-ga... | 20888240 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 60.0 | nM | 7.22 | Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-2-beta-3-ga... | 20888240 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 116.0 | nM | 6.94 | Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-3-beta-3-ga... | 20888240 |
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 216.0 | nM | 6.67 | Displacement of [3H]flunitrazepam from human recombinant GABAA alpha-5-beta-3-ga... | 20888240 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20888240 | 10.1016/j.bmc.2010.08.049 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 20888240 | 10.1016/j.bmc.2010.08.049 | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 20888240 | 10.1016/j.bmc.2010.08.049 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
| 20888240 | 10.1016/j.bmc.2010.08.049 | GABA A receptor alpha-4/beta-3/gamma-2 | 1 |
| 20888240 | 10.1016/j.bmc.2010.08.049 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
| 20888240 | 10.1016/j.bmc.2010.08.049 | GABA-A receptor; alpha-6/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine