Compound Detail
CHEMBL4515597
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Basic Information
| ChEMBL ID | CHEMBL4515597 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATFITIQQSWCPIQ-XPTLAUCJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.7
MW (Da)
6.35
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.18
QED
1
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 7.54 | 7.54 | 29.2 | 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 | = | 29.2 | nM | 7.54 | Inhibition of recombinant human GlyT2a expressed in Xenopus laevis oocytes asses... | 30714733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30714733 | 10.1021/acs.jmedchem.8b01775 | Sodium- and chloride-dependent glycine transporter 2 | 2 |
| 30714733 | 10.1021/acs.jmedchem.8b01775 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine