Compound Detail
CHEMBL129742
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Basic Information
| ChEMBL ID | CHEMBL129742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRWYYMUIIXMQBL-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
252.3
MW (Da)
3.90
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.45 | 6.45 | 358.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 6.45 | 6.45 | 354.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 358.0 | nM | 6.45 | In vitro binding affinity at benzodiazepine receptor of rat cerebral cortical me... | 1331452 |
| GABA-A receptor; anion channel | IC50 | = | 354.81 | nM | 6.45 | Inhibition on Benzodiazepine receptor | 9435905 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1331452 | 10.1021/jm00100a004 | GABA-A receptor; anion channel | 1 |
| 9435905 | 10.1021/jm970488n | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine