Compound Detail
CHEMBL160058
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Basic Information
| ChEMBL ID | CHEMBL160058 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIZZSPOBOIMENB-SJEOTZHBSA-M |
| Parent Compound | CHEMBL1205861 |
| Active Moiety | CHEMBL1205861 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
335.8
MW (Da)
3.89
ALogP
3
HBA
2
HBD
69.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.23 | 6.23 | 590.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 590.0 | nM | 6.23 | Displacement of [3H]gamma-amino butyric acid from Gamma-aminobutyric acid (GABA-... | 7392039 |
| GABA-A receptor; anion channel | Ki | = | 680.0 | nM | 6.17 | Displacement of [3H]gamma-amino butyric acid from Gamma-aminobutyric acid (GABA-... | 7392039 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7392039 | 10.1021/jm00180a029 | Mus musculus | 4 |
| 7392039 | 10.1021/jm00180a029 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine