Compound Detail
CHEMBL4867332
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Basic Information
| ChEMBL ID | CHEMBL4867332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZMMDWDRHARBKK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
3.44
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | IC50 | 7.24 | 7.215 | 58.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | IC50 | = | 58.15 | nM | 7.24 | Inhibition of [3H]DTBZ binding to VMAT2 in rat brain incubated for 30 mins by li... | 34329999 |
| Synaptic vesicular amine transporter | IC50 | = | 64.91 | nM | 7.19 | Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptosome incubated for 1... | 34329999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34329999 | 10.1016/j.ejmech.2021.113718 | Synaptic vesicular amine transporter | 4 |
Data from ChEMBL 36 via Core Engine