Compound Detail
CHEMBL3085519
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Basic Information
| ChEMBL ID | CHEMBL3085519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VGUKOKATWNDEOI-GBYQISHSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.5
MW (Da)
4.31
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.07 | 4.89 | 8580.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 8580.0 | nM | 5.07 | Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen t... | 9435910 |
| Sodium-dependent dopamine transporter | Ki | = | 19700.0 | nM | 4.71 | Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen t... | 9435910 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435910 | 10.1021/jm970549h | Sodium-dependent dopamine transporter | 2 |
Data from ChEMBL 36 via Core Engine