Compound Detail
CHEMBL213921
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Basic Information
| ChEMBL ID | CHEMBL213921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQVBEYNRGLHRTA-UEDYQVLESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
385.2
MW (Da)
3.30
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.1 | 8.1 | 7.9 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.91 | 6.91 | 123.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 7.9 | nM | 8.1 | Displacement of [3H]cyanoimipramine from SERT in rat cerebral cortex homogenate | 16908151 |
| Sodium-dependent dopamine transporter | Ki | = | 123.0 | nM | 6.91 | Displacement of [3H]beta-CIT from DAT in rat caudate homogenate | 16908151 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16908151 | 10.1016/j.bmcl.2006.07.013 | Sodium-dependent serotonin transporter | 1 |
| 16908151 | 10.1016/j.bmcl.2006.07.013 | Sodium-dependent dopamine transporter | 1 |
| 16908151 | 10.1016/j.bmcl.2006.07.013 | Monoamine transporters; serotonin & dopamine | 1 |
| 16908151 | 10.1016/j.bmcl.2006.07.013 | Monoamine transporters; Norepinephrine & serotonin | 1 |
| 16908151 | 10.1016/j.bmcl.2006.07.013 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine