Compound Detail
CHEMBL307061
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Basic Information
| ChEMBL ID | CHEMBL307061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQXQAMBHZZKHOL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
278.3
MW (Da)
2.23
ALogP
5
HBA
0
HBD
60.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Ki 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 100.0 | nM | 7.0 | In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat ... | 2167977 |
| GABA-A receptor; anion channel | Ki | = | 100.0 | nM | 7.0 | In vitro inhibition of [3H]diazepam binding to rat cerebral cortical membrane be... | 6325688 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6325688 | 10.1021/jm00371a002 | GABA-A receptor; anion channel | 1 |
| 2167977 | 10.1021/jm00171a007 | GABA-A receptor; anion channel | 1 |
| 20598537 | 10.1016/j.bmcl.2010.06.052 | CCRF-CEM | 1 |
| 20598537 | 10.1016/j.bmcl.2010.06.052 | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine