Compound Detail
CHEMBL4539491
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Basic Information
| ChEMBL ID | CHEMBL4539491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BRWRMOSLKYGVBI-QVJAEPELSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
396.3
MW (Da)
3.49
ALogP
5
HBA
3
HBD
86.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | Ki | 6.19 | 6.19 | 645.6 | 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 | = | 645.65 | nM | 6.19 | Inhibition of NO711 binding to mouse GAT1 expressed in HEK293 cell membranes ass... | 30376325 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30376325 | 10.1021/acs.jmedchem.8b01602 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
Data from ChEMBL 36 via Core Engine