Compound Detail
CHEMBL140191
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Basic Information
| ChEMBL ID | CHEMBL140191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEWVQXTWRAAFOV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.6
MW (Da)
4.94
ALogP
5
HBA
0
HBD
23.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | IC50 | 5.88 | 5.88 | 1330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 1330.0 | nM | 5.88 | Binding affinity was evaluated using [3H]WIN-35428 binding to dopamine transport... | 9435903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9435903 | 10.1021/jm9705519 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine