Compound Detail
CHEMBL4473454
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Basic Information
| ChEMBL ID | CHEMBL4473454 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFFXGKVZHHTTPY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4596816 |
| Active Moiety | CHEMBL4596816 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
3.09
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4828 | Ki | 6.96 | 6.24 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 110.0 | nM | 6.96 | Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA u... | 27524311 |
| Synaptic vesicular amine transporter | Ki | = | 3050.0 | nM | 5.52 | Inhibition of [3H]DTBZ binding to VMAT2 in rat whole brain homogenate (excluding... | 27524311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27524311 | 10.1016/j.bmcl.2016.08.001 | Synaptic vesicular amine transporter | 2 |
Data from ChEMBL 36 via Core Engine