Compound Detail
CHEMBL271379
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Basic Information
| ChEMBL ID | CHEMBL271379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFDFRDXIIKROAI-UHFFFAOYSA-M |
| Parent Compound | CHEMBL311617 |
| Active Moiety | CHEMBL311617 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
170.2
MW (Da)
2.18
ALogP
0
HBA
0
HBD
3.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
Ki 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Synaptic vesicular amine transporter CHEMBL4271 | Ki | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Synaptic vesicular amine transporter | Ki | = | 92000.0 | nM | 4.04 | Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts | 18220329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18220329 | 10.1021/jm070875p | Synaptic vesicular amine transporter | 4 |
| 31421966 | 10.1016/j.bmcl.2019.08.016 | SH-SY5Y | 1 |
| 35163125 | 10.3390/ijms23031203 | Solute carrier family 22 member 3 | 1 |
Data from ChEMBL 36 via Core Engine