Compound Detail
CHEMBL3559486
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Basic Information
| ChEMBL ID | CHEMBL3559486 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFPQQQQXQYTFHQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL83744 |
| Active Moiety | CHEMBL83744 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
327.2
MW (Da)
2.79
ALogP
3
HBA
2
HBD
80.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 560.0 | nM | 6.25 | Binding affinity, determined by its ability to displace the [3H]GABA from Gamma-... | 3027337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3027337 | 10.1021/jm00385a003 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine