Compound Detail
CHEMBL5205864
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Basic Information
| ChEMBL ID | CHEMBL5205864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSNAEDJVONIQIM-JMFMGIQESA-N |
| Parent Compound | CHEMBL5222907 |
| Active Moiety | CHEMBL5222907 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.72
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL4054 | Ki | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | Ki | = | 14.0 | nM | 7.85 | Inhibition of [3H]-GABA uptake at GAT-1 in rat forebrain synaptosomes assessed a... | 35306287 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35306287 | 10.1016/j.ejmech.2022.114269 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 35306287 | 10.1016/j.ejmech.2022.114269 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine