Compound Detail
CHEMBL544145
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Basic Information
| ChEMBL ID | CHEMBL544145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDUZNOXGFRTZDS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL136415 |
| Active Moiety | CHEMBL136415 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
329.5
MW (Da)
3.92
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.23 | 4.735 | 5850.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 5850.0 | nM | 5.23 | Displacement of [3H]WIN-35428 from dopamine transporter in rat caudate putamen t... | 9435910 |
| Sodium-dependent dopamine transporter | Ki | = | 57300.0 | nM | 4.24 | 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 | 3 |
Data from ChEMBL 36 via Core Engine