Compound Detail
CHEMBL567232
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Basic Information
| ChEMBL ID | CHEMBL567232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HTTGVFNTQCNCHU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.5
MW (Da)
3.00
ALogP
4
HBA
1
HBD
47.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.35
IC50 1 meas. best 6.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 7.35 | 7.085 | 45.0 | 2 |
| Synaptic vesicular amine transporter CHEMBL4828 | IC50 | 6.99 | 6.99 | 102.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 45.0 | nM | 7.35 | Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogen... | 19632829 |
| Synaptic vesicular amine transporter | IC50 | = | 102.45 | nM | 6.99 | Inhibition of [3H]DTBZ binding to VMAT2 in rat brain incubated for 30 mins by li... | 34329999 |
| Synaptic vesicular amine transporter | Ki | = | 150.0 | nM | 6.82 | Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates | 19632829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34329999 | 10.1016/j.ejmech.2021.113718 | Synaptic vesicular amine transporter | 4 |
| 19632829 | 10.1016/j.bmcl.2009.07.048 | Synaptic vesicular amine transporter | 2 |
Data from ChEMBL 36 via Core Engine