Compound Detail
CHEMBL224608
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 | CHEMBL224608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YLPHFEFMBAMSKS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.55
ALogP
8
HBA
0
HBD
83.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-3/beta-3/gamma-2 CHEMBL2094120 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 CHEMBL2094130 | 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-3/beta-3/gamma-2 | Ki | = | 4.8 | nM | 8.32 | Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha-3-beta-3-gamma... | 16279764 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 6.2 | nM | 8.21 | Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha-1-beta-3-gamma... | 16279764 |
| GABA-A receptor; alpha-2/beta-3/gamma-2 | Ki | = | 14.0 | nM | 7.85 | Displacement of [3H]Ro 15-1788 from human recombinant GABAA alpha-2-beta-3-gamma... | 16279764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16279764 | 10.1021/jm058034a | GABA-A receptor; alpha-1/beta-3/gamma-2 | 2 |
| 16279764 | 10.1021/jm058034a | GABA-A receptor; alpha-2/beta-3/gamma-2 | 2 |
| 16279764 | 10.1021/jm058034a | GABA-A receptor; alpha-3/beta-3/gamma-2 | 2 |
Data from ChEMBL 36 via Core Engine