Compound Detail
CHEMBL353469
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Basic Information
| ChEMBL ID | CHEMBL353469 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PXLQESYVKGYUPE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
2.75
ALogP
2
HBA
2
HBD
52.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.8 | 6.475 | 160.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 160.0 | nM | 6.8 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 704.0 | nM | 6.15 | Inhibition of dopamine uptake into rat striatal tissue, using [3H]- dopamine as ... | 10072685 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10072685 | 10.1021/jm980566m | Sodium-dependent dopamine transporter | 3 |
Data from ChEMBL 36 via Core Engine