Compound Detail
CHEMBL12578
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Basic Information
| ChEMBL ID | CHEMBL12578 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKHHJECXXHOADW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
306.4
MW (Da)
2.94
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 4.27 | 4.27 | 54000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 54000.0 | nM | 4.27 | In vitro inhibition of [3H]diazepam binding to benzodiazepine receptor in rat ce... | 6127411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21060288 | 10.3390/molecules15117775 | Culex quinquefasciatus | 3 |
| 6127411 | 10.1021/jm00351a015 | GABA-A receptor; anion channel | 2 |
| 21060288 | 10.3390/molecules15117775 | Lipaphis erysimi | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Cholinesterase | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Acetylcholinesterase | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Unchecked | 1 |
| 29960728 | 10.1016/j.bmc.2018.06.018 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine