Compound Detail
CHEMBL226964
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Basic Information
| ChEMBL ID | CHEMBL226964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVIXOEAECQEFTC-VBKFSLOCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
4.39
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.35 | 6.35 | 450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 450.0 | nM | 6.35 | Displacement of [35S]TBPS from GABAA receptor in Sprague-Dawley rat cortex membr... | 17571865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17571865 | 10.1021/jm070083v | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine