Compound Detail
CHEMBL194212
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Basic Information
| ChEMBL ID | CHEMBL194212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVXUWMUJULZCIL-TUUBTQOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.5
MW (Da)
4.59
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 5.41 | 5.41 | 3880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 3880.0 | nM | 5.41 | Inhibition constant against [3H]dihydrotetrabenazine binding to vesicular monoam... | 16112864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16112864 | 10.1016/j.bmcl.2005.07.032 | Synaptic vesicular amine transporter | 3 |
Data from ChEMBL 36 via Core Engine