Compound Detail
CHEMBL203877
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Basic Information
| ChEMBL ID | CHEMBL203877 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWERFVJRQFKXQG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
377.4
MW (Da)
3.39
ALogP
6
HBA
0
HBD
76.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 9.02 | 9.02 | 0.9 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.62 | 8.62 | 2.4 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 8.47 | 8.47 | 3.4 | 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 | = | 0.95 | nM | 9.02 | Displacement of [3H]Ro-151788 from human recombinant GABA-Aalpha5 receptor plus ... | 16384707 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 2.4 | nM | 8.62 | Displacement of [3H]Ro-151788 from human recombinant GABA-Aalpha1 receptor plus ... | 16384707 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 3.4 | nM | 8.47 | Displacement of [3H]Ro-151788 from human recombinant GABA-Aalpha3 receptor plus ... | 16384707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16384707 | 10.1016/j.bmcl.2005.12.027 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16384707 | 10.1016/j.bmcl.2005.12.027 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 16384707 | 10.1016/j.bmcl.2005.12.027 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine