Compound Detail
CHEMBL386223
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Basic Information
| ChEMBL ID | CHEMBL386223 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JQQRBSOAFDAWGZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.4
MW (Da)
2.75
ALogP
3
HBA
1
HBD
39.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 4.0 | nM | 8.4 | Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cells | 16750359 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 300.0 | nM | 6.52 | Inhibition of [3H]NA uptake at NA transporter expressed in HEK293 cells | 16750359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16750359 | 10.1016/j.bmcl.2006.05.051 | Sodium-dependent dopamine transporter | 1 |
| 16750359 | 10.1016/j.bmcl.2006.05.051 | Sodium-dependent noradrenaline transporter | 1 |
| 16750359 | 10.1016/j.bmcl.2006.05.051 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine