Compound Detail
CHEMBL12516
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Basic Information
| ChEMBL ID | CHEMBL12516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEHKFLLRPHVXEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.01
ALogP
4
HBA
3
HBD
74.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 39000.0 | nM | 4.41 | In vitro inhibition of [3H]diazepam binding to benzodiazepine receptor in rat ce... | 6127411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6127411 | 10.1021/jm00351a015 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine