Compound Detail
CHEMBL283869
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Basic Information
| ChEMBL ID | CHEMBL283869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEXICQMUXBUJAC-SANMLTNESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
416.6
MW (Da)
4.14
ALogP
4
HBA
1
HBD
35.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 170.0 | nM | 6.77 | Binding affinity for dopamine transporter | 11882001 |
| Sodium-dependent serotonin transporter | Ki | = | 330.0 | nM | 6.48 | Binding affinity for serotonin transporter | 11882001 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11882001 | 10.1021/jm010430f | Sodium-dependent dopamine transporter | 1 |
| 11882001 | 10.1021/jm010430f | Sodium-dependent serotonin transporter | 1 |
| 11882001 | 10.1021/jm010430f | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine