Compound Detail
CHEMBL128348
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Basic Information
| ChEMBL ID | CHEMBL128348 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJSZCKCJAMOVEP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
4.09
ALogP
2
HBA
1
HBD
37.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 7.02 | 7.02 | 95.5 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.98 | 6.98 | 104.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 95.5 | nM | 7.02 | Inhibition on Benzodiazepine receptor | 9435905 |
| GABA-A receptor; anion channel | IC50 | = | 104.0 | nM | 6.98 | In vitro binding affinity at benzodiazepine receptor of rat cerebral cortical me... | 1331452 |
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