Compound Detail
CHEMBL47210
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Basic Information
| ChEMBL ID | CHEMBL47210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFUNLJPTPCQLIR-DUHSPSEUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
3.39
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1.4 | nM | 8.85 | Ability to inhibit human dopamine uptake by the human dopamine transporter in EM... | 11425531 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425531 | 10.1016/s0960-894x(01)00271-2 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine