Compound Detail
CHEMBL19891
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Basic Information
| ChEMBL ID | CHEMBL19891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFHAGFCWXOFKEL-ZIAGYGMSSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
263.3
MW (Da)
2.13
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.92 | 5.9133 | 1202.3 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1202.26 | nM | 5.92 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
| Sodium-dependent dopamine transporter | IC50 | = | 1220.0 | nM | 5.91 | The compound was tested for its affinity at the rat striatal dopamine transporte... | - |
| Sodium-dependent dopamine transporter | IC50 | = | 1220.0 | nM | 5.91 | Displacement of [3H]WIN 35428 from Sprague-Dawley rat striatal tissue after 2 hr... | 20846865 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20846865 | 10.1016/j.bmc.2010.08.034 | Sodium-dependent dopamine transporter | 2 |
| - | 10.1016/S0960-894X(97)00193-5 | Sodium-dependent dopamine transporter | 1 |
| - | 10.1016/S0960-894X(97)00193-5 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine