Compound Detail
CHEMBL557822
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Basic Information
| ChEMBL ID | CHEMBL557822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFKGKWNYAOQRCC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL76724 |
| Active Moiety | CHEMBL76724 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
4.91
ALogP
1
HBA
2
HBD
44.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 250.0 | nM | 6.6 | In vitro potency measured against [3H]diazepam at the benzodiazepine receptor in... | 2167978 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167978 | 10.1021/jm00171a015 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine