Compound Detail
CHEMBL179474
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 | CHEMBL179474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKKWBLSUYZOORV-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
4.83
ALogP
6
HBA
0
HBD
65.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 9.34 | 9.34 | 0.5 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.01 | 8.01 | 9.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-2/beta-3/gamma-2 | 1 |
| 15743180 | 10.1021/jm040883v | GABA-A receptor; alpha-5/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine