Compound Detail
CHEMBL337299
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Basic Information
| ChEMBL ID | CHEMBL337299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEUNLTQABDZKBW-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
3.39
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 7.3 | 7.19 | 50.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 50.0 | nM | 7.3 | Ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putam... | 12213055 |
| Sodium-dependent dopamine transporter | IC50 | = | 50.4 | nM | 7.3 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat brain | 8960553 |
| Sodium-dependent dopamine transporter | IC50 | = | 106.0 | nM | 6.97 | Compound was tested for inhibition of [3H]dopamine uptake at the dopamine transp... | 8960553 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960553 | 10.1021/jm960288w | Sodium-dependent dopamine transporter | 2 |
| 12213055 | 10.1021/jm0102093 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine