Compound Detail
CHEMBL58927
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 | CHEMBL58927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNMUMZXMMNJDIN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.51
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 6.57 | 6.57 | 270.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-3/beta-3/gamma-2 | Ki | = | 270.0 | nM | 6.57 | Binding affinity by displacement of [3H]Ro-151788 from recombinant human gamma-a... | 11960500 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 520.0 | nM | 6.28 | Inhibition of [3H]Ro-151788 binding to human GABA A receptor (alpha-1-beta-3-gam... | 11960500 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11960500 | 10.1021/jm0110789 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
| 11960500 | 10.1021/jm0110789 | GABA-A receptor; alpha-3/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine