Compound Detail
CHEMBL196513
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Basic Information
| ChEMBL ID | CHEMBL196513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZFLFWOTDWFGFO-ONGXEEELSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.97
ALogP
1
HBA
1
HBD
19.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.85 | 7.735 | 14.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 14.0 | nM | 7.85 | Binding inhibition towards human serotonin transporter | 16162005 |
| Sodium-dependent serotonin transporter | Ki | = | 24.0 | nM | 7.62 | Binding inhibition towards human serotonin transporter | 16162005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162005 | 10.1021/jm0503291 | Sodium-dependent serotonin transporter | 2 |
| 16162005 | 10.1021/jm0503291 | Sodium-dependent dopamine transporter | 2 |
| 16162005 | 10.1021/jm0503291 | Sodium-dependent noradrenaline transporter | 2 |
Data from ChEMBL 36 via Core Engine