Compound Detail
CHEMBL190860
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Basic Information
| ChEMBL ID | CHEMBL190860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ODXYYPIOITXURW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.4
MW (Da)
3.62
ALogP
3
HBA
1
HBD
29.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 8.84 | 8.84 | 1.5 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.85 | 6.85 | 141.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 1.46 | nM | 8.84 | In vitro displacement of [3H]paroxetine from human serotonin transporter express... | 15801845 |
| Sodium-dependent noradrenaline transporter | Ki | = | 141.7 | nM | 6.85 | In vitro displacement of [3H]nisoxetine from human norepinephrine transporter ex... | 15801845 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801845 | 10.1021/jm0400808 | Sodium-dependent serotonin transporter | 1 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent dopamine transporter | 1 |
| 15801845 | 10.1021/jm0400808 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine