Compound Detail
CHEMBL76724
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Basic Information
| ChEMBL ID | CHEMBL76724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXRYUZWRAURKPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.6 | 6.6 | 251.2 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.54 | 6.54 | 285.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 251.19 | nM | 6.6 | Displacement of [3H]diazepam from GABAA/BzR in rat brain membrane | 17964693 |
| GABA-A receptor; anion channel | IC50 | = | 285.0 | nM | 6.54 | In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat ... | 2167977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2167977 | 10.1021/jm00171a007 | GABA-A receptor; anion channel | 1 |
| 17964693 | 10.1016/j.ejmech.2007.09.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine