Compound Detail
CHEMBL78599
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Basic Information
| ChEMBL ID | CHEMBL78599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYMCXDGSTLOWQC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
411.3
MW (Da)
5.74
ALogP
3
HBA
0
HBD
41.9
PSA (Ų)
0.59
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.85 | 5.425 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1400.0 | nM | 5.85 | In vitro binding affinity to the Gamma-aminobutyric acid A receptor complex in p... | 10395481 |
| GABA-A receptor; anion channel | IC50 | = | 10000.0 | nM | 5.0 | In vitro binding affinity to the Gamma-aminobutyric acid A receptor complex in a... | 10395481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10395481 | 10.1021/jm9805889 | GABA-A receptor; anion channel | 3 |
| 10395481 | 10.1021/jm9805889 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine