Compound Detail
CHEMBL204319
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Basic Information
| ChEMBL ID | CHEMBL204319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNQJKHFCSDKTCD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
3.64
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.82 | 8.82 | 1.5 | 1 |
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 | = | 1.2 | nM | 8.92 | Displacement of [3H] Ro15-1788 from recombinant human GABAA alpha2 receptor plus... | 16480260 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 1.5 | nM | 8.82 | Displacement of [3H]Ro 15-1788 from recombinant human GABAA alpha-1 receptor plu... | 16480260 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16480260 | 10.1021/jm051200u | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16480260 | 10.1021/jm051200u | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 16480260 | 10.1021/jm051200u | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine