Compound Detail
CHEMBL59453
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Basic Information
| ChEMBL ID | CHEMBL59453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASHFBMJVBRAIDV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.2
MW (Da)
2.61
ALogP
7
HBA
0
HBD
90.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of specific binding of 1.5 nM [3H]diazepam to rat brain benzodiazepin... | 1967311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1967311 | 10.1021/jm00163a032 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine