Compound Detail
CHEMBL4864621
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Basic Information
| ChEMBL ID | CHEMBL4864621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWPBUGPUBDTKNP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
4.20
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | IC50 | 6.55 | 6.55 | 280.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | IC50 | = | 280.34 | nM | 6.55 | Inhibition of [3H]DTBZ binding to VMAT2 in rat brain incubated for 30 mins by li... | 34329999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34329999 | 10.1016/j.ejmech.2021.113718 | Synaptic vesicular amine transporter | 1 |
Data from ChEMBL 36 via Core Engine