Compound Detail
CHEMBL363814
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Basic Information
| ChEMBL ID | CHEMBL363814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFUQRJKBLCJEIH-XLCOUGHXSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
4.02
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.96 | 5.655 | 1083.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1083.7 | nM | 5.96 | Inhibition of [3H]dopamine uptake into rat striatal synaptosomes | 15857139 |
| Sodium-dependent dopamine transporter | IC50 | = | 4500.0 | nM | 5.35 | Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen | 15857139 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15857139 | 10.1021/jm0490235 | Sodium-dependent dopamine transporter | 2 |
| 15857139 | 10.1021/jm0490235 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine