Compound Detail
CHEMBL171121
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Basic Information
| ChEMBL ID | CHEMBL171121 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQGAMWDOCIXVRB-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
243.4
MW (Da)
3.77
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.72 | 6.3275 | 191.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 191.0 | nM | 6.72 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 313.0 | nM | 6.5 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 840.0 | nM | 6.08 | Inhibition of dopamine uptake into rat striatal tissue, using [3H]- dopamine as ... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 980.0 | nM | 6.01 | 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 | 6 |
Data from ChEMBL 36 via Core Engine