Compound Detail
CHEMBL132241
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Basic Information
| ChEMBL ID | CHEMBL132241 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYWHYTUIHQDEED-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.8
MW (Da)
2.61
ALogP
3
HBA
1
HBD
35.8
PSA (Ų)
0.87
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.37
Ki 1 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 8.37 | 8.26 | 4.3 | 3 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 4.3 | nM | 8.37 | Ability to displace [3H]WIN-35428 from dopamine transporter in rat caudate putam... | 12213055 |
| Sodium-dependent dopamine transporter | IC50 | = | 4.3 | nM | 8.37 | Inhibition of [3H]WIN-35428 binding to the dopamine transporter in rat brain | 8960553 |
| Sodium-dependent dopamine transporter | IC50 | = | 9.2 | nM | 8.04 | Inhibition of [3H]dopamine uptake at the dopamine transporter in rat striatal ti... | 8960553 |
| Sodium-dependent dopamine transporter | Ki | = | 15.85 | nM | 7.8 | Binding affinity to dopamine transporter (DAT) using [3H]WIN-35428 as a radiolig... | 11063611 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8960553 | 10.1021/jm960288w | Sodium-dependent dopamine transporter | 3 |
| 12213055 | 10.1021/jm0102093 | Sodium-dependent dopamine transporter | 1 |
| 11063611 | 10.1021/jm990472s | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine