Compound Detail
CHEMBL3325502
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Basic Information
| ChEMBL ID | CHEMBL3325502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDGXFDNTQWGRNH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.43
ALogP
4
HBA
1
HBD
44.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 7.82 | 7.82 | 15.3 | 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 | = | 15.3 | nM | 7.82 | Inhibition of human GlyT2 transfected in HEK293 cells assessed as [3H]glycine up... | 25176190 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25176190 | 10.1016/j.bmcl.2014.06.059 | Mus musculus | 1 |
| 25176190 | 10.1016/j.bmcl.2014.06.059 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 25176190 | 10.1016/j.bmcl.2014.06.059 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine