Compound Detail
CHEMBL2206530
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Basic Information
| ChEMBL ID | CHEMBL2206530 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LULUPYXXDWTNNO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.40
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.16 | 6.16 | 687.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | Ki | = | 29.0 | nM | 7.54 | Inhibition of human NET | 23084899 |
| Sodium-dependent dopamine transporter | Ki | = | 687.0 | nM | 6.16 | Inhibition of DAT | 23084899 |
| Sodium-dependent serotonin transporter | Ki | = | 1470.0 | nM | 5.83 | Inhibition of SERT | 23084899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23084899 | 10.1016/j.bmcl.2012.09.050 | Sodium-dependent serotonin transporter | 1 |
| 23084899 | 10.1016/j.bmcl.2012.09.050 | Sodium-dependent dopamine transporter | 1 |
| 23084899 | 10.1016/j.bmcl.2012.09.050 | Sodium-dependent noradrenaline transporter | 1 |
Data from ChEMBL 36 via Core Engine