Compound Detail
CHEMBL2419425
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Basic Information
| ChEMBL ID | CHEMBL2419425 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKNWKLYWGXANLI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
5.05
ALogP
4
HBA
1
HBD
56.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL4556 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3195 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 | IC50 | = | 320.0 | nM | 6.5 | Displacement of [3H]glycine from GlyT1 in rat C6 glioma cells incubated for 30 m... | 23837744 |
| Sodium- and chloride-dependent glycine transporter 2 | IC50 | = | 340.0 | nM | 6.47 | Displacement of [3H]glycine from GlyT2 in Wistar rat brainstem cells after 10 mi... | 23837744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23837744 | 10.1021/jm400383w | Unchecked | 1 |
| 23837744 | 10.1021/jm400383w | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 23837744 | 10.1021/jm400383w | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine