Compound Detail
CHEMBL3589343
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Basic Information
| ChEMBL ID | CHEMBL3589343 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLVXXPQHUPSFBW-ZRZAMGCNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
395.6
MW (Da)
5.86
ALogP
3
HBA
1
HBD
37.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 7.38 | 7.065 | 42.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 42.0 | nM | 7.38 | Inhibition of VMAT2-mediated [3H]DA uptake in rat brain synaptic vesicles by liq... | 25991431 |
| Synaptic vesicular amine transporter | Ki | = | 178.0 | nM | 6.75 | Displacement of [3H]DTBZ from VMAT2 in rat whole brain by liquid scintillation s... | 25991431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25991431 | 10.1016/j.bmcl.2015.04.105 | Synaptic vesicular amine transporter | 4 |
Data from ChEMBL 36 via Core Engine