Compound Detail
CHEMBL4531406
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Basic Information
| ChEMBL ID | CHEMBL4531406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPOLTUVFXFHAHI-WHIOSMTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
425.6
MW (Da)
4.78
ALogP
4
HBA
0
HBD
66.4
PSA (Ų)
0.12
QED
0
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | 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 2 | IC50 | = | 340.0 | nM | 6.47 | Reversible non-competitive inhibition of human GlyT2a expressed in Xenopus laevi... | 30714733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30714733 | 10.1021/acs.jmedchem.8b01775 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
Data from ChEMBL 36 via Core Engine