Compound Detail
CHEMBL445401
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Basic Information
| ChEMBL ID | CHEMBL445401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIZTZZUELBWXAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
4.62
ALogP
4
HBA
0
HBD
43.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.08 | 8.08 | 8.3 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 7.85 | 7.85 | 14.0 | 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 | = | 8.3 | nM | 8.08 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus... | 16406613 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 14.0 | nM | 7.85 | 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-1/beta-3/gamma-2 | 2 |
| 16406613 | 10.1016/j.bmcl.2005.11.112 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
Data from ChEMBL 36 via Core Engine