Compound Detail
CHEMBL545511
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Basic Information
| ChEMBL ID | CHEMBL545511 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCSIZCFLWCEIKJ-GNXXMFRDSA-N |
| Parent Compound | CHEMBL1194013 |
| Active Moiety | CHEMBL1194013 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
399.9
MW (Da)
4.85
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL4054 | Ki | 7.92 | 7.92 | 12.0 | 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 | = | 12.0 | nM | 7.92 | In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GAB... | 10479278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479278 | 10.1021/jm981027k | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 10479278 | 10.1021/jm981027k | GABA transporter | 1 |
Data from ChEMBL 36 via Core Engine