Compound Detail
CHEMBL3322883
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Basic Information
| ChEMBL ID | CHEMBL3322883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABKWRNOGFQFNRG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
156.2
MW (Da)
0.10
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 4.32 | 4.315 | 47863.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 47863.01 | nM | 4.32 | Displacement of [3H]muscimol from GABAA receptor in SPRD rat brain synaptic memb... | 25038482 |
| GABA-A receptor; anion channel | Ki | = | 49000.0 | nM | 4.31 | Displacement of [3H]muscimol from GABAA receptor in SPRD rat brain synaptic memb... | 25038482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; anion channel | 2 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 2 |
| 25038482 | 10.1016/j.ejmech.2014.07.039 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine