Compound Detail
CHEMBL203591
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Basic Information
| ChEMBL ID | CHEMBL203591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZLLXOVNVMQRNP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
365.3
MW (Da)
4.35
ALogP
5
HBA
0
HBD
66.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 9.34 | 9.34 | 0.5 | 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 | = | 0.36 | nM | 9.44 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus... | 16406613 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 0.46 | nM | 9.34 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus... | 16406613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16406613 | 10.1016/j.bmcl.2005.11.112 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 3 |
| 16406613 | 10.1016/j.bmcl.2005.11.112 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16406613 | 10.1016/j.bmcl.2005.11.112 | Canis familiaris | 1 |
| 16406613 | 10.1016/j.bmcl.2005.11.112 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine