Compound Detail
CHEMBL2206514
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Basic Information
| ChEMBL ID | CHEMBL2206514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUOGWJKRNSZLMZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.97
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.89 | 6.89 | 129.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 6.86 | 6.86 | 137.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 5.69 | 5.69 | 2050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 129.0 | nM | 6.89 | Inhibition of DAT | 23084899 |
| Sodium-dependent noradrenaline transporter | Ki | = | 137.0 | nM | 6.86 | Inhibition of human NET | 23084899 |
| Sodium-dependent serotonin transporter | Ki | = | 2050.0 | nM | 5.69 | 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