Compound Detail
CHEMBL2440295
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Basic Information
| ChEMBL ID | CHEMBL2440295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMRWJLKGQUMXKG-RGEXLXHISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.9
MW (Da)
4.44
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; agonist GABA site CHEMBL2109244 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; agonist GABA site | IC50 | = | 100.0 | nM | 7.0 | Displacement of [35S]TBPS from GABAA receptor (unknown origin) | 24098954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24098954 | 10.1021/jm400704g | GABA-A receptor; agonist GABA site | 1 |
Data from ChEMBL 36 via Core Engine