Compound Detail
CHEMBL285342
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Basic Information
| ChEMBL ID | CHEMBL285342 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FSULAQVXMVICFX-DMRFDLNASA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.8
MW (Da)
3.83
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.89
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 6.9 | 6.48 | 125.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 125.0 | nM | 6.9 | Inhibitory concentration against [3H]dopamine uptake | - |
| Sodium-dependent dopamine transporter | IC50 | = | 166.0 | nM | 6.78 | Displacement of [3H]mazindol from dopamine transporter | - |
| Sodium-dependent dopamine transporter | IC50 | = | 525.0 | nM | 6.28 | Inhibitory concentration against [3H]dopamine uptake | - |
| Sodium-dependent dopamine transporter | IC50 | = | 1105.0 | nM | 5.96 | Displacement of [3H]mazindol from dopamine transporter | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80341-8 | Sodium-dependent dopamine transporter | 4 |
Data from ChEMBL 36 via Core Engine