Compound Detail
CHEMBL373716
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Basic Information
| ChEMBL ID | CHEMBL373716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIHNTIPKYMTGW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
387.3
MW (Da)
4.48
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 CHEMBL2094121 | Ki | 7.38 | 7.38 | 42.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10.0 | nM | 8.0 | Displacement of [3H]muscimol from GABAA receptor in Sprague-Dawley rat brain syn... | 17375905 |
| GABA-A receptor; alpha-1/beta-3/gamma-2 | Ki | = | 42.0 | nM | 7.38 | Antagonist activity at human GABAA alpha-1-beta-3-gamma-2S expressed in Xenopus ... | 17375905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17375905 | 10.1021/jm070038n | Unchecked | 2 |
| 17375905 | 10.1021/jm070038n | GABA-A receptor; alpha-1/beta-3/gamma-2 | 1 |
Data from ChEMBL 36 via Core Engine