Compound Detail
CHEMBL1649957
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Basic Information
| ChEMBL ID | CHEMBL1649957 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLIFUYBSDQHKCX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
4.62
ALogP
4
HBA
1
HBD
50.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 1 CHEMBL4556 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3195 | IC50 | 6.17 | 6.17 | 680.0 | 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 | = | 240.0 | nM | 6.62 | Inhibition of [3H]glycine uptake at GlyT1 in rat C6 cells | 21141920 |
| Sodium- and chloride-dependent glycine transporter 2 | IC50 | = | 680.0 | nM | 6.17 | Inhibition of [3H]glycine uptake at GlyT2 in rat C6 cells | 21141920 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21141920 | 10.1021/jm101031u | Sodium- and chloride-dependent glycine transporter 1 | 1 |
| 21141920 | 10.1021/jm101031u | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 21141920 | 10.1021/jm101031u | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine