Compound Detail
CHEMBL2206528
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Basic Information
| ChEMBL ID | CHEMBL2206528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUBLHLUAVCRNAN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.85
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.43 | 7.43 | 37.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.24 | 7.24 | 58.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent noradrenaline transporter | Ki | = | 37.0 | nM | 7.43 | Inhibition of human NET | 23084899 |
| Sodium-dependent dopamine transporter | Ki | = | 58.0 | nM | 7.24 | Inhibition of DAT | 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