Compound Detail
CHEMBL437877
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL437877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLHQBHOWDZNCNK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.22
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 9.09 | 9.09 | 0.8 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 8.79 | 8.79 | 1.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 | Ki | = | 0.5 | nM | 9.3 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha5 receptor plus... | 16386900 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 0.81 | nM | 9.09 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha1 receptor plus... | 16386900 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 1.63 | nM | 8.79 | Displacement of [3H]Ro 15-1788 from recombinant human GABA-Aalpha3 receptor plus... | 16386900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 16386900 | 10.1016/j.bmcl.2005.12.044 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine