Compound Detail
CHEMBL538839
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Basic Information
| ChEMBL ID | CHEMBL538839 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HJXIRCAVTQIKQH-QXWNOFBNSA-N |
| Parent Compound | CHEMBL1189510 |
| Active Moiety | CHEMBL1189510 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
3.32
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 6.04 | 6.04 | 920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 920.0 | nM | 6.04 | Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells | 17517506 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17517506 | 10.1016/j.bmcl.2007.04.010 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine