Compound Detail
CHEMBL445131
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Basic Information
| ChEMBL ID | CHEMBL445131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEJOMHIZDZKPGT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
302.7
MW (Da)
3.29
ALogP
2
HBA
0
HBD
32.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 150.0 | nM | 6.82 | In vitro inhibitory concentration of compound against benzodiazepine receptor fr... | 8145224 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8145224 | 10.1021/jm00032a007 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine