Compound Detail
CHEMBL312117
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Basic Information
| ChEMBL ID | CHEMBL312117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUCHQWQCQPMDKW-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
4.97
ALogP
3
HBA
2
HBD
87.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vesicular glutamate transporter 3 CHEMBL3472 | Ki | 4.39 | 4.205 | 41000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vesicular glutamate transporter 3 | Ki | = | 41000.0 | nM | 4.39 | Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), usin... | 12014964 |
| Vesicular glutamate transporter 3 | Ki | = | 95000.0 | nM | 4.02 | Inhibitory conc. against Vesicular glutamate transporter (VGLUT), derived from L... | 12014964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12014964 | 10.1021/jm010261z | Vesicular glutamate transporter 3 | 3 |
Data from ChEMBL 36 via Core Engine