Compound Detail
CHEMBL453650
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Basic Information
| ChEMBL ID | CHEMBL453650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBHNEEQVTAFAGO-PSWAGMNNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
335.5
MW (Da)
5.89
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]dihydrotetrabenazine from vesicular monoamine transporter-2 ... | 18976906 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976906 | 10.1016/j.bmcl.2008.10.042 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine