Compound Detail
CHEMBL444016
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Basic Information
| ChEMBL ID | CHEMBL444016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIEKRGYJDRVDEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.7
MW (Da)
5.68
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.53
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 CHEMBL2111413 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA A receptor alpha-2/beta-2/gamma-2 | EC50 | = | 2300.0 | nM | 5.64 | Effective concentration against GABA-evoked chloride currents mediated by human ... | 15801854 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801854 | 10.1021/jm049120y | GABA A receptor alpha-2/beta-2/gamma-2 | 2 |
Data from ChEMBL 36 via Core Engine