Compound Detail
CHEMBL116662
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Basic Information
| ChEMBL ID | CHEMBL116662 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHMSPLAJMQBJKD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
341.4
MW (Da)
3.06
ALogP
5
HBA
0
HBD
48.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | EC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; alpha-1/beta-3/gamma-2 | EC50 | = | 5500.0 | nM | 5.26 | GABA-modulatory action compound was evaluated on Oocytes expressing recombinant ... | 11606122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11606122 | 10.1021/jm010903i | Mus musculus | 1 |
| 11606122 | 10.1021/jm010903i | GABA-A receptor; anion channel | 1 |
| 11606122 | 10.1021/jm010903i | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine