Compound Detail
CHEMBL5432315
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Basic Information
| ChEMBL ID | CHEMBL5432315 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZLDSGSZJVNADF-BHGWPJFGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
419.3
MW (Da)
4.73
ALogP
4
HBA
1
HBD
62.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 5.248 | nM | 8.28 | Inhibition of mouse GAT1 expressed in HEK293 cells assessed as inhibition of [3H... | 37012671 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37012671 | 10.1021/acs.jmedchem.2c01975 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine