Compound Detail
CHEMBL4452842
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Basic Information
| ChEMBL ID | CHEMBL4452842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOTNURUEMMPART-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
0.99
ALogP
5
HBA
3
HBD
111.7
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent glycine transporter 2 CHEMBL3060 | IC50 | 6.29 | 6.29 | 518.0 | 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 | = | 518.0 | nM | 6.29 | Inhibition of human GlyT2 expressed in porcine aorta epithelial cells assessed a... | 31223446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31223446 | 10.1021/acsmedchemlett.9b00003 | Sodium- and chloride-dependent glycine transporter 2 | 1 |
| 31223446 | 10.1021/acsmedchemlett.9b00003 | Sodium- and chloride-dependent glycine transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine