Compound Detail
CHEMBL50886
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Basic Information
| ChEMBL ID | CHEMBL50886 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKFLALJPMIMFEC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.30
ALogP
4
HBA
0
HBD
46.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.99 | 5.99 | 1016.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 1016.0 | nM | 5.99 | Displacement of [3H]GBR-12935 from rat forebrain Dopamine transporter | 10969967 |
| Sodium-dependent serotonin transporter | Ki | = | 5000.0 | nM | 5.3 | Affinity for Serotonin transporter by displacing [3H]paroxetine from rat forebra... | 10969967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969967 | 10.1016/s0960-894x(00)00317-6 | Sodium-dependent serotonin transporter | 1 |
| 10969967 | 10.1016/s0960-894x(00)00317-6 | Sodium-dependent dopamine transporter | 1 |
| 10969967 | 10.1016/s0960-894x(00)00317-6 | Norepinephrine transporter | 1 |
| 10969967 | 10.1016/s0960-894x(00)00317-6 | Monoamine transporters; serotonin & dopamine | 1 |
Data from ChEMBL 36 via Core Engine