Compound Detail
CHEMBL365812
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Basic Information
| ChEMBL ID | CHEMBL365812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XEZCTGHRWRPHGS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
4.00
ALogP
3
HBA
2
HBD
38.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 7.09 | 7.09 | 80.9 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 5.54 | 5.54 | 2908.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.42 | 5.42 | 3823.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 80.9 | nM | 7.09 | In vitro displacement of [3H]paroxetine from human serotonin transporter express... | 15801845 |
| Sodium-dependent dopamine transporter | Ki | = | 2908.0 | nM | 5.54 | In vitro displacement of [3H]GBR-12935 from human dopamine transporter expressed... | 15801845 |
| Sodium-dependent noradrenaline transporter | Ki | = | 3823.0 | nM | 5.42 | 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