Compound Detail
CHEMBL336186
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Basic Information
| ChEMBL ID | CHEMBL336186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XXQUTIIQIQULCG-GSDWIKKDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.36
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.81 | 5.66 | 1560.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 1560.0 | nM | 5.81 | Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen t... | 9435910 |
| Sodium-dependent dopamine transporter | Ki | = | 3090.3 | nM | 5.51 | Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig... | 11063611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435910 | 10.1021/jm970549h | Sodium-dependent dopamine transporter | 1 |
| 11063611 | 10.1021/jm990472s | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine