Compound Detail
CHEMBL541630
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Basic Information
| ChEMBL ID | CHEMBL541630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGGVUPJLXJREPN-JZPCNNKFSA-N |
| Parent Compound | CHEMBL355286 |
| Active Moiety | CHEMBL355286 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
4.32
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.6 | 7.29 | 25.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 25.0 | nM | 7.6 | Displacement of [3H]WIN-35428 from Dopamine transporter of rat caudate putamen | 15857139 |
| Sodium-dependent dopamine transporter | IC50 | = | 104.0 | nM | 6.98 | Inhibition of [3H]dopamine uptake into rat striatal synaptosomes | 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