Compound Detail
CHEMBL5173957
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 | CHEMBL5173957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSSLURWOFMAQCO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
4.28
ALogP
4
HBA
0
HBD
55.6
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-5/beta-3/gamma-2 CHEMBL2094122 | Ki | 7.89 | 7.89 | 13.0 | 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 | = | 13.0 | nM | 7.89 | Displacement of [3H]Ro151788 from human recombinant alpha5beta3gamma2 GABAA rece... | 35584373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35584373 | 10.1021/acs.jmedchem.2c00414 | GABA-A receptor; alpha-5/beta-3/gamma-2 | 3 |
| 35584373 | 10.1021/acs.jmedchem.2c00414 | ADMET | 2 |
| 35584373 | 10.1021/acs.jmedchem.2c00414 | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine