Compound Detail
CHEMBL173965
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Basic Information
| ChEMBL ID | CHEMBL173965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHORERNNJNTEOU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
245.4
MW (Da)
3.17
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 6.6 | 6.21 | 249.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 249.0 | nM | 6.6 | Inhibitory binding activity against rat striatal tissue using [3H]WIN-35248 as t... | 10072685 |
| Sodium-dependent dopamine transporter | IC50 | = | 1500.0 | nM | 5.82 | 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